3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid

C11H14N2O4 — CID 3622596

IUPAC3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
SMILESCC(CN(C(N)=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16)
InChIKeyQNDGOTHLKZYEGN-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.00
Rot. Bonds4

About 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid

3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid (PubChem CID 3622596) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
PubChem CID3622596
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
SMILESCC(CN(C(N)=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16)
InChIKeyQNDGOTHLKZYEGN-UHFFFAOYSA-N
XLogP1.00
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(N-carbamoyl-2-hydroxyanilino)-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

Frequently Asked Questions

What is the IUPAC name of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid (CID 3622596) is 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid is CC(CN(C(N)=O)c1ccccc1O)C(=O)O.
What is the InChIKey of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
The InChIKey is QNDGOTHLKZYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(10(15)16)6-13(11(12)17)8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3,(H2,12,17)(H,15,16).
What are the key properties of 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid?
3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid is sourced from PubChem (CID 3622596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).