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364750-81-2 molecular structure
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(2S,4S)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid

ChemBase ID: 806304
Molecular Formular: C11H19NO4
Molecular Mass: 229.27286
Monoisotopic Mass: 229.13140809
SMILES and InChIs

SMILES:
N1([C@@H](C[C@@H](C1)C)C(=O)O)C(=O)OC(C)(C)C
Canonical SMILES:
C[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChIKey:
MXKSXPYZNXUHEZ-YUMQZZPRSA-N

Cite this record

CBID:806304 http://www.chembase.cn/molecule-806304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid
IUPAC Traditional name
(2S,4S)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
Synonyms
(2S,4S)-N-BOC-4-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
CAS Number
364750-81-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23785 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23785 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.048179  H Acceptors
H Donor LogD (pH = 5.5) 0.08774049 
LogD (pH = 7.4) -1.5797622  Log P 1.5510244 
Molar Refractivity 57.531 cm3 Polarizability 22.755922 Å3
Polar Surface Area 66.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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