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74307-75-8 molecular structure
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(1r,3r)-3-aminocyclobutane-1-carboxylic acid

ChemBase ID: 63271
Molecular Formular: C5H9NO2
Molecular Mass: 115.13046
Monoisotopic Mass: 115.06332853
SMILES and InChIs

SMILES:
C(=O)([C@@H]1C[C@H](C1)N)O
Canonical SMILES:
N[C@@H]1C[C@H](C1)C(=O)O
InChI:
InChI=1S/C5H9NO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-
InChIKey:
YRGRLZXBOJQQDP-JPYJGEKTSA-N

Cite this record

CBID:63271 http://www.chembase.cn/molecule-63271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1r,3r)-3-aminocyclobutane-1-carboxylic acid
IUPAC Traditional name
(1r,3r)-3-aminocyclobutane-1-carboxylic acid
Synonyms
trans-3-Amino-cyclobutanecarboxylic acid
trans-3-Aminocyclobutanecarboxylic acid
CAS Number
74307-75-8
MDL Number
MFCD06659965
PubChem SID
162029010
PubChem CID
194581

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 194581 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.2333984  H Acceptors
H Donor LogD (pH = 5.5) -2.7740116 
LogD (pH = 7.4) -2.7559044  Log P -2.7559273 
Molar Refractivity 27.9709 cm3 Polarizability 11.294152 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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