2-(2-chloroacetamido)butanoic acid

2-(2-chloroacetamido)butanoic acid

CAS: 101072-54-2

Formula: C6H10ClNO3

SMILES: CCC(NC(=O)CCl)C(O)=O

IUPAC: 2-(2-chloroacetamido)butanoic acid

InChI: InChI=1/C6H10ClNO3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11)

Composition: C (40.13%), H (5.61%), Cl (19.74%), N (7.80%), O (26.72%)

Molar Mass: 179.6

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	179.0349209
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CLYGVTIFEIIGIX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.22
Topological Polar Surface Area	66.4
Polarizability	15.53
Ring Count	0
Rotatable Bond Count	4

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