(2S)-4-carbamoyl-2-[(2R)-2-chloropropanamido]butanoic acid

(2S)-4-carbamoyl-2-[(2R)-2-chloropropanamido]butanoic acid

CAS: 159141-33-0

Formula: C8H13ClN2O4

SMILES: C[C@@H](Cl)C(=O)N[C@@H](CCC(N)=O)C(O)=O

IUPAC: (2S)-4-carbamoyl-2-[(2R)-2-chloropropanamido]butanoic acid

InChI: InChI=1S/C8H13ClN2O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1

Composition: C (40.60%), H (5.54%), Cl (14.98%), N (11.84%), O (27.04%)

Molar Mass: 236.65

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	236.0563846
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	JAKFXLPGGKWCLJ-UHNVWZDZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.8
Topological Polar Surface Area	109.49
Polarizability	20.5
Ring Count	0
Rotatable Bond Count	6

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