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168471-40-7 | 2-Cyclopentene-1-carboxylic acid, 4-amino-, (1R,4S)-rel-
CAS No: 168471-40-7 Catalog No: AG0007SX MDL No:MFCD00211286
Product Description
Catalog Number:
AG0007SX
Chemical Name:
2-Cyclopentene-1-carboxylic acid, 4-amino-, (1R,4S)-rel-
CAS Number:
168471-40-7
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00211286
IUPAC Name:
(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
InChI:
InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m1/s1
InChI Key:
VTCHZFWYUPZZKL-UHNVWZDZSA-N
SMILES:
N[C@H]1C[C@H](C=C1)C(=O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
Literature
| Title | Journal |
|---|---|
| [New enzymatic strategies for enantiomers of lactams and amino acids]. | Acta pharmaceutica Hungarica 20110101 |
| Enantiomers of cis-constrained and flexible 2-substituted GABA analogues exert opposite effects at recombinant GABA(C) receptors. | Bioorganic & medicinal chemistry 20060115 |
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