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156292-40-9 | 2-Cyclopentene-1-carboxylic acid, 5-amino-3-methyl-, cis- (9CI)
CAS No: 156292-40-9 Catalog No: AG001ON1 MDL No:
Product Description
Catalog Number:
AG001ON1
Chemical Name:
2-Cyclopentene-1-carboxylic acid, 5-amino-3-methyl-, cis- (9CI)
CAS Number:
156292-40-9
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
(1R,5S)-5-amino-3-methylcyclopent-2-ene-1-carboxylic acid
InChI:
InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h2,5-6H,3,8H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChI Key:
MZKAIPSOMHSQTP-RITPCOANSA-N
SMILES:
CC1=C[C@H]([C@H](C1)N)C(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
Literature
| Title | Journal |
|---|---|
| Novel antifungal beta-amino acids: synthesis and activity against Candida albicans. | Bioorganic & medicinal chemistry letters 20030210 |
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