2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid

C12H16N2O4 — CID 107737112

IUPAC2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)NCC(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C12H16N2O4/c1-3-14(12(18)13-7-11(16)17)10-6-9(15)5-4-8(10)2/h4-6,15H,3,7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyIGZWBZZIPSGQIA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.32
Rot. Bonds4

About 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid

2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 107737112) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID107737112
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)NCC(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C12H16N2O4/c1-3-14(12(18)13-7-11(16)17)10-6-9(15)5-4-8(10)2/h4-6,15H,3,7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyIGZWBZZIPSGQIA-UHFFFAOYSA-N
XLogP1.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]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

3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea
CID 107653693
4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 107737106
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829638
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pent-4-ynoic acid
CID 107737068
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-(cyanomethyl)-N'-ethyl-N'-(5-hydroxy-2-methylphenyl)oxamide
CID 107735052
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 28780674

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid (CID 107737112) is 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid is CCN(C(=O)NCC(=O)O)c1cc(O)ccc1C.
What is the InChIKey of 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is IGZWBZZIPSGQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-14(12(18)13-7-11(16)17)10-6-9(15)5-4-8(10)2/h4-6,15H,3,7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid?
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107737112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).