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154460-33-0 molecular structure
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methyl (1S,2S)-2-aminocyclopentane-1-carboxylate

ChemBase ID: 799685
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
[C@H]1([C@H](CCC1)N)C(=O)OC
Canonical SMILES:
COC(=O)[C@H]1CCC[C@@H]1N
InChI:
InChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6-/m0/s1
InChIKey:
RGXCCQQWSIEIEF-WDSKDSINSA-N

Cite this record

CBID:799685 http://www.chembase.cn/molecule-799685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (1S,2S)-2-aminocyclopentane-1-carboxylate
IUPAC Traditional name
methyl (1S,2S)-2-aminocyclopentane-1-carboxylate
Synonyms
(1R,2S)-methyl 2-aminocyclopentanecarboxylate
CAS Number
154460-33-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14546 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14546 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7410045  LogD (pH = 7.4) -1.861342 
Log P 0.25378904  Molar Refractivity 37.187 cm3
Polarizability 15.197755 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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