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Home Aminos 4-[(2,2-dimethylpropionyl)amino]butyric acid

4-[(2,2-dimethylpropionyl)amino]butyric acid

CAS No.:
69542-93-4
Catalog Number:
AG00FC3R
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
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Product Description
Catalog Number:
AG00FC3R
Chemical Name:
4-[(2,2-dimethylpropionyl)amino]butyric acid
CAS Number:
69542-93-4
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD00868454
IUPAC Name:
4-(2,2-dimethylpropanoylamino)butanoic acid
InChI:
InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
SRPNQDXRVRCTNK-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)NCCCC(=O)O
EC Number:
274-038-3
UNII:
C53SV0WO4V
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Pivagabine effects on neuroendocrine responses to experimentally-induced psychological stress in humans. Behavioural brain research 20010701
Properties