2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid

C16H20N2O6 — CID 146136090

IUPAC2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
SMILESCOc1ccc(NC(=O)C(C)(OC)C(=O)O)cc1N1CCCC1=O
InChIInChI=1S/C16H20N2O6/c1-16(24-3,15(21)22)14(20)17-10-6-7-12(23-2)11(9-10)18-8-4-5-13(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyCFWDQUWTGWXKBF-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.25
Rot. Bonds6

About 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid

2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid (PubChem CID 146136090) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
PubChem CID146136090
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
SMILESCOc1ccc(NC(=O)C(C)(OC)C(=O)O)cc1N1CCCC1=O
InChIInChI=1S/C16H20N2O6/c1-16(24-3,15(21)22)14(20)17-10-6-7-12(23-2)11(9-10)18-8-4-5-13(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyCFWDQUWTGWXKBF-UHFFFAOYSA-N
XLogP1.25
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47047172
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid (CID 146136090) is 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid is COc1ccc(NC(=O)C(C)(OC)C(=O)O)cc1N1CCCC1=O.
What is the InChIKey of 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid?
The InChIKey is CFWDQUWTGWXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-16(24-3,15(21)22)14(20)17-10-6-7-12(23-2)11(9-10)18-8-4-5-13(18)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid?
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid has a molecular weight of 336.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 146136090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).