2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C17H18N2O5 — CID 154741914

IUPAC2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-24-10-17(16(22)23)7-4-8-19(17)15(21)12-9-14(20)18-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyJNVXJPCTHNAXPB-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.23
Rot. Bonds4

About 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 154741914) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID154741914
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-24-10-17(16(22)23)7-4-8-19(17)15(21)12-9-14(20)18-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyJNVXJPCTHNAXPB-UHFFFAOYSA-N
XLogP1.23
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 154741914) is 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JNVXJPCTHNAXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-24-10-17(16(22)23)7-4-8-19(17)15(21)12-9-14(20)18-13-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154741914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).