Name: Name:4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoic acid
Brand: Angene
SKU: AG019OET
Rating: 90 (10 reviews)

4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoic acid

CAS No.:

847744-23-4

Catalog Number:

AG019OET

Molecular Formula:

C12H16N2O3

Molecular Weight:

236.2670

Catalog Number:

AG019OET

Chemical Name:

4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoic acid

CAS Number:

847744-23-4

Molecular Formula:

C12H16N2O3

Molecular Weight:

236.2670

MDL Number:

MFCD07323326

IUPAC Name:

4-[(propan-2-ylcarbamoylamino)methyl]benzoic acid

InChI:

InChI=1S/C12H16N2O3/c1-8(2)14-12(17)13-7-9-3-5-10(6-4-9)11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)(H2,13,14,17)

InChI Key:

IGAYXMRVURPWFH-UHFFFAOYSA-N

SMILES:

CC(NC(=O)NCc1ccc(cc1)C(=O)O)C

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.271g/mol

Monoisotopic Mass:

236.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2