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

C14H16N2O5 — CID 62232072

IUPAC3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
SMILESCOc1cc(NC(=O)CC(=O)O)ccc1N1CCCC1=O
InChIInChI=1S/C14H16N2O5/c1-21-11-7-9(15-12(17)8-14(19)20)4-5-10(11)16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyUXZZPDYZWGZDRJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.24
Rot. Bonds5

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

3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid (PubChem CID 62232072) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
PubChem CID62232072
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
SMILESCOc1cc(NC(=O)CC(=O)O)ccc1N1CCCC1=O
InChIInChI=1S/C14H16N2O5/c1-21-11-7-9(15-12(17)8-14(19)20)4-5-10(11)16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyUXZZPDYZWGZDRJ-UHFFFAOYSA-N
XLogP1.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.24
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

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18281436
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 51317962

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid?
The IUPAC name of 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid (CID 62232072) is 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid?
The canonical SMILES for 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid is COc1cc(NC(=O)CC(=O)O)ccc1N1CCCC1=O.
What is the InChIKey of 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid?
The InChIKey is UXZZPDYZWGZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-11-7-9(15-12(17)8-14(19)20)4-5-10(11)16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid?
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid has a molecular weight of 292.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid is sourced from PubChem (CID 62232072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).