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294874-99-0 | Butanoic acid, 3-(methylamino)-, (3R)-
CAS No: 294874-99-0 Catalog No: AG002YJV MDL No:
Product Description
Catalog Number:
AG002YJV
Chemical Name:
Butanoic acid, 3-(methylamino)-, (3R)-
CAS Number:
294874-99-0
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
IUPAC Name:
3-(methylamino)butanoic acid
InChI:
InChI=1S/C5H11NO2/c1-4(6-2)3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChI Key:
VWQSQYOPIHNGBY-UHFFFAOYSA-N
SMILES:
C[C@@H](NC)CC(=O)O
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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