2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid

C12H15NO5 — CID 63687210

IUPAC2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccc(OC)c(O)c1
InChIInChI=1S/C12H15NO5/c1-3-13(7-14)11(12(16)17)8-4-5-10(18-2)9(15)6-8/h4-7,11,15H,3H2,1-2H3,(H,16,17)
InChIKeyZQDBNBPNIPENLW-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.00
Rot. Bonds6

About 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid

2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid (PubChem CID 63687210) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
PubChem CID63687210
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccc(OC)c(O)c1
InChIInChI=1S/C12H15NO5/c1-3-13(7-14)11(12(16)17)8-4-5-10(18-2)9(15)6-8/h4-7,11,15H,3H2,1-2H3,(H,16,17)
InChIKeyZQDBNBPNIPENLW-UHFFFAOYSA-N
XLogP1.00
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)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-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-(3-bromo-4-methoxyphenyl)-2-[formyl(methyl)amino]acetic acid
CID 63688709
2-bromo-2-(3-hydroxy-4-methoxyphenyl)acetaldehyde
CID 90358895
(3S)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 94425310
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 83838639
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid (CID 63687210) is 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid is CCN(C=O)C(C(=O)O)c1ccc(OC)c(O)c1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The InChIKey is ZQDBNBPNIPENLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-3-13(7-14)11(12(16)17)8-4-5-10(18-2)9(15)6-8/h4-7,11,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid has a molecular weight of 253.25 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 63687210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).