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139126-45-7 | Cyclopropanecarboxylic acid, 1-(aminomethyl)-
CAS No: 139126-45-7 Catalog No: AG001ACB MDL No:MFCD06212872
Product Description
Catalog Number:
AG001ACB
Chemical Name:
Cyclopropanecarboxylic acid, 1-(aminomethyl)-
CAS Number:
139126-45-7
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD06212872
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 |
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