2-[2-(2-aminoacetamido)propanamido]-3-methylpentanamide hydrochloride

2-[2-(2-aminoacetamido)propanamido]-3-methylpentanamide hydrochloride

CAS: 1397243-58-1

Formula: C11H23ClN4O3

SMILES: Cl.CCC(C)C(NC(=O)C(C)NC(=O)CN)C(N)=O

IUPAC: 2-[2-(2-aminoacetamido)propanamido]-3-methylpentanamide hydrochloride

InChI: InChI=1/C11H22N4O3.ClH/c1-4-6(2)9(10(13)17)15-11(18)7(3)14-8(16)5-12;/h6-7,9H,4-5,12H2,1-3H3,(H2,13,17)(H,14,16)(H,15,18);1H

Composition: C (44.82%), H (7.86%), Cl (12.03%), N (19.01%), O (16.28%)

Molar Mass: 294.78

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	294.1458683
Formal Charge	0
FSP3	0.73
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	CKRSMJTXCDFGHC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.02
Topological Polar Surface Area	127.31
Polarizability	26.21
Ring Count	0
Rotatable Bond Count	7

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