3-anilino-2-methoxy-3-oxopropanoic acid

C10H11NO4 — CID 57113581

IUPAC3-anilino-2-methoxy-3-oxopropanoic acid
SMILESCOC(C(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-8(10(13)14)9(12)11-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)(H,13,14)
InChIKeyKJCXSQQKMUZWLA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.72
Rot. Bonds4

About 3-anilino-2-methoxy-3-oxopropanoic acid

3-anilino-2-methoxy-3-oxopropanoic acid (PubChem CID 57113581) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-anilino-2-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-anilino-2-methoxy-3-oxopropanoic acid
PubChem CID57113581
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-anilino-2-methoxy-3-oxopropanoic acid
SMILESCOC(C(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C10H11NO4/c1-15-8(10(13)14)9(12)11-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)(H,13,14)
InChIKeyKJCXSQQKMUZWLA-UHFFFAOYSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
(2S)-2,4-dimethoxy-4-oxobutanoic acid;methyl (3S)-4-anilino-3-methoxy-4-oxobutanoate
CID 157365148
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;2-methoxy-3-oxo-N-phenylbutanamide
CID 21329642
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-methoxy-3-oxopropanoic acid?
The IUPAC name of 3-anilino-2-methoxy-3-oxopropanoic acid (CID 57113581) is 3-anilino-2-methoxy-3-oxopropanoic acid.
What is the SMILES notation for 3-anilino-2-methoxy-3-oxopropanoic acid?
The canonical SMILES for 3-anilino-2-methoxy-3-oxopropanoic acid is COC(C(=O)O)C(=O)Nc1ccccc1.
What is the InChIKey of 3-anilino-2-methoxy-3-oxopropanoic acid?
The InChIKey is KJCXSQQKMUZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-8(10(13)14)9(12)11-7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-anilino-2-methoxy-3-oxopropanoic acid?
3-anilino-2-methoxy-3-oxopropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 57113581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).