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

C12H15NO4 — CID 63688327

IUPAC2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-6-4-5-7-10(9)17-2/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyUDFLRQDUVSLIMA-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.30
Rot. Bonds6

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

2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid (PubChem CID 63688327) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
PubChem CID63688327
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-6-4-5-7-10(9)17-2/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyUDFLRQDUVSLIMA-UHFFFAOYSA-N
XLogP1.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
2-(2-methoxyphenyl)-2-(2,4,5-trichloro-N-ethylanilino)acetic acid
CID 70566809
2-(2-bromo-4,5-dimethoxyphenyl)-2-[formyl(propyl)amino]acetic acid
CID 63687791
2-(4-chloro-2-fluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 114843784
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid (CID 63688327) is 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid is CCN(C=O)C(C(=O)O)c1ccccc1OC.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid?
The InChIKey is UDFLRQDUVSLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-6-4-5-7-10(9)17-2/h4-8,11H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid?
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 63688327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).