Home Carboxys Cyclopropanecarboxylic acid, 1-(aminomethyl)-

Cyclopropanecarboxylic acid, 1-(aminomethyl)-

CAS No.:
139126-45-7
Catalog Number:
AG001ACB
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
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Product Description
Catalog Number:
AG001ACB
Chemical Name:
Cyclopropanecarboxylic acid, 1-(aminomethyl)-
CAS Number:
139126-45-7
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
1-(aminomethyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChI Key:
MJQJJFZHAQFTDZ-UHFFFAOYSA-N
SMILES:
NCC1(CC1)C(=O)O
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  
Literature
Title Journal
Novel cyclopropyl beta-amino acid analogues of pregabalin and gabapentin that target the alpha2-delta protein. Journal of medicinal chemistry 20050421
Properties