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2133-34-8 molecular structure
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(2R)-azetidine-2-carboxylic acid

ChemBase ID: 63598
Molecular Formular: C4H7NO2
Molecular Mass: 101.10388
Monoisotopic Mass: 101.04767847
SMILES and InChIs

SMILES:
[C@@H]1(C(=O)O)NCC1
Canonical SMILES:
OC(=O)[C@H]1CCN1
InChI:
InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKey:
IADUEWIQBXOCDZ-GSVOUGTGSA-N

Cite this record

CBID:63598 http://www.chembase.cn/molecule-63598.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-azetidine-2-carboxylic acid
IUPAC Traditional name
(2R)-azetidine-2-carboxylic acid
Synonyms
(R)-Azetidine-2-carboxylic acid
(2R)-2-Azetidinecarboxylic Acid
(+)-Azetidinecarboxylic Acid
D-Azetidine-2-carboxylic Acid
(2S)-2-Azetidinecarboxylic acid
(-)-Azetidinecarboxylic acid
(S)-(-)-2-Azetidine carboxylic acid
L-Azetidine-2-carboxylic Acid
(R)-(+) Azetidine-2-carboxylic acid
CAS Number
2133-34-8
7729-30-8
MDL Number
MFCD00800731
PubChem SID
162029337
PubChem CID
637601

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7564697  H Acceptors
H Donor LogD (pH = 5.5) -3.0860164 
LogD (pH = 7.4) -3.0861597  Log P -3.0859778 
Molar Refractivity 23.4197 cm3 Polarizability 9.473591 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
White to Off-White Solid expand Show data source
Melting Point
209-211°C expand Show data source
220-224°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A812500 external link
A four-membered ring analog of L-Proline. A useful intermediate in the synthesis of polypeptides.
Toronto Research Chemicals - A812480 external link
A four-membered ring analog of L-Proline. A useful intermediate in the synthesis of polypeptides.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Barber, M., et al.: Int. J. Pept. Protein Res., 14(3)
  • • 247 (3)
  • • Tsai., F.H., et al.: Biopolymers, 30(11-12), 1039 (1990)
  • •  Barber, M., et al.: Int. J. Pept. Protein Res., 14(3)
  • • 247 (3)
  • • Tsai., F.H., et al.: Biopolymers, 30(11-12), 1039 (1990)
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PATENTS

PATENTS

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INTERNET

INTERNET

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