2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

C12H16N2O4 — CID 107737206

IUPAC2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16N2O4/c1-12(2,10(16)17)13-11(18)14(3)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,13,18)(H,16,17)
InChIKeyFHFJTIWYUXDETK-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.40
Rot. Bonds3

About 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid

2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 107737206) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID107737206
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H16N2O4/c1-12(2,10(16)17)13-11(18)14(3)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,13,18)(H,16,17)
InChIKeyFHFJTIWYUXDETK-UHFFFAOYSA-N
XLogP1.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 107737147
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
6-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107737234
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
3-[tert-butyl-[(3-hydroxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 107737269
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
2,2-diethyl-4-(3-hydroxy-N-methylanilino)-4-oxobutanoic acid
CID 107734007
(2S)-2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 107737182
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 107737206) is 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is CN(C(=O)NC(C)(C)C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is FHFJTIWYUXDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,10(16)17)13-11(18)14(3)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 107737206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).