(2S)-N-benzyl-2-acetamido-3-methoxypropanamide

(2S)-N-benzyl-2-acetamido-3-methoxypropanamide

CAS: 175481-37-5

Formula: C13H18N2O3

SMILES: COC[C@H](NC(C)=O)C(=O)NCC1=CC=CC=C1

IUPAC: (2S)-N-benzyl-2-acetamido-3-methoxypropanamide

InChI: InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VPPJLAIAVCUEMN-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.57
Topological Polar Surface Area	67.43
Polarizability	26.34
Ring Count	1
Rotatable Bond Count	6

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