3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid

C11H13NO4 — CID 116924250

IUPAC3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
SMILESCNC(C(=O)O)C(=O)c1ccccc1OC
InChIInChI=1S/C11H13NO4/c1-12-9(11(14)15)10(13)7-5-3-4-6-8(7)16-2/h3-6,9,12H,1-2H3,(H,14,15)
InChIKeySRBPIDKMTVJNOE-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.55
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid

3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid (PubChem CID 116924250) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
PubChem CID116924250
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
SMILESCNC(C(=O)O)C(=O)c1ccccc1OC
InChIInChI=1S/C11H13NO4/c1-12-9(11(14)15)10(13)7-5-3-4-6-8(7)16-2/h3-6,9,12H,1-2H3,(H,14,15)
InChIKeySRBPIDKMTVJNOE-UHFFFAOYSA-N
XLogP0.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-4,5-dimethylphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924180
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
ethane;methyl 2-methoxybenzoate
CID 178037044
benzyl 2-[(2-methoxybenzoyl)amino]-3-(2-methoxyphenyl)-3-oxopropanoate
CID 44557800
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid (CID 116924250) is 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid is CNC(C(=O)O)C(=O)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid?
The InChIKey is SRBPIDKMTVJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12-9(11(14)15)10(13)7-5-3-4-6-8(7)16-2/h3-6,9,12H,1-2H3,(H,14,15).
What are the key properties of 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid?
3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid is sourced from PubChem (CID 116924250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).