2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid

C12H14N2O6 — CID 61181285

IUPAC2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O6/c1-20-11(18)6-13-12(19)14(7-10(16)17)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,13,19)(H,16,17)
InChIKeyFWBYXUMNEZLHEL-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.17
Rot. Bonds5

About 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid

2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid (PubChem CID 61181285) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
PubChem CID61181285
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O6/c1-20-11(18)6-13-12(19)14(7-10(16)17)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,13,19)(H,16,17)
InChIKeyFWBYXUMNEZLHEL-UHFFFAOYSA-N
XLogP0.17
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic 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

2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid
CID 61204848
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
CID 61203767
methyl 2-(N-formyl-4-hydroxyanilino)acetate
CID 22630303
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704
2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid
CID 60831299
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid (CID 61181285) is 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid is COC(=O)CNC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid?
The InChIKey is FWBYXUMNEZLHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-11(18)6-13-12(19)14(7-10(16)17)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,13,19)(H,16,17).
What are the key properties of 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid?
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid has a molecular weight of 282.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61181285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).