Home Carbonyls Pentanoic acid, 2-(aminocarbonyl)-4-methyl-

Pentanoic acid, 2-(aminocarbonyl)-4-methyl-

CAS No.:
4431-58-7
Catalog Number:
AG00DZMT
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
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Product Description
Catalog Number:
AG00DZMT
Chemical Name:
Pentanoic acid, 2-(aminocarbonyl)-4-methyl-
CAS Number:
4431-58-7
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD20640917
IUPAC Name:
2-carbamoyl-4-methylpentanoic acid
InChI:
InChI=1S/C7H13NO3/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H2,8,9)(H,10,11)
InChI Key:
OFZZCQOGMPLZFA-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)C(=O)N)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties