3-methyl-3-(prop-2-enamido)butanoic acid

3-methyl-3-(prop-2-enamido)butanoic acid

CAS: 38486-53-2

Formula: C8H13NO3

SMILES: CC(C)(CC(O)=O)NC(=O)C=C

IUPAC: 3-methyl-3-(prop-2-enamido)butanoic acid

InChI: InChI=1S/C8H13NO3/c1-4-6(10)9-8(2,3)5-7(11)12/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12)

Composition: C (56.13%), H (7.65%), N (8.18%), O (28.04%)

Molar Mass: 171.196

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	171.089543283
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XOQMWEWYWXJOAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.85
Topological Polar Surface Area	66.4
Polarizability	17
Ring Count	0
Rotatable Bond Count	4

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