Name: Name:3-(carbamoylamino)-3-(3-methylphenyl)propanoic acid
Brand: Angene
SKU: AG019LK5
Rating: 90 (10 reviews)

3-(carbamoylamino)-3-(3-methylphenyl)propanoic acid

CAS No.:

861339-12-0

Catalog Number:

AG019LK5

Molecular Formula:

C11H14N2O3

Molecular Weight:

222.2405

Catalog Number:

AG019LK5

Chemical Name:

3-(carbamoylamino)-3-(3-methylphenyl)propanoic acid

CAS Number:

861339-12-0

Molecular Formula:

C11H14N2O3

Molecular Weight:

222.2405

MDL Number:

MFCD09971511

IUPAC Name:

3-(carbamoylamino)-3-(3-methylphenyl)propanoic acid

InChI:

InChI=1S/C11H14N2O3/c1-7-3-2-4-8(5-7)9(6-10(14)15)13-11(12)16/h2-5,9H,6H2,1H3,(H,14,15)(H3,12,13,16)

InChI Key:

DIEWXCQMNINIJP-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1cccc(c1)C)NC(=O)N

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.244g/mol

Monoisotopic Mass:

222.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4