3-(2-methylbutanamido)benzoic acid

3-(2-methylbutanamido)benzoic acid

CAS: 890983-61-6

Formula: C12H15NO3

SMILES: CCC(C)C(=O)NC1=CC(=CC=C1)C(O)=O

IUPAC: 3-(2-methylbutanamido)benzoic acid

InChI: InChI=1/C12H15NO3/c1-3-8(2)11(14)13-10-6-4-5-9(7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YMBLRAJBSUMZCE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.98
Topological Polar Surface Area	66.4
Polarizability	23.07
Ring Count	1
Rotatable Bond Count	4

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