2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide

C19H23N3O7 — CID 69443459

IUPAC2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1cccc2cccnc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H17N3O.C4H6O6/c1-18-10-4-8-13(18)15(19)17-12-7-2-5-11-6-3-9-16-14(11)12;5-1(3(7)8)2(6)4(9)10/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,19);1-2,5-6H,(H,7,8)(H,9,10)/t13-;/m0./s1
InChIKeyPLXGYKGIPJJHNL-ZOWNYOTGSA-N
MW405.41 g/mol
LogP0.14
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide

2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide (PubChem CID 69443459) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
PubChem CID69443459
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC Name2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1cccc2cccnc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H17N3O.C4H6O6/c1-18-10-4-8-13(18)15(19)17-12-7-2-5-11-6-3-9-16-14(11)12;5-1(3(7)8)2(6)4(9)10/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,19);1-2,5-6H,(H,7,8)(H,9,10)/t13-;/m0./s1
InChIKeyPLXGYKGIPJJHNL-ZOWNYOTGSA-N
XLogP0.14
TPSA160.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide 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 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide (CID 69443459) is 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)Nc1cccc2cccnc12.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The InChIKey is PLXGYKGIPJJHNL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H17N3O.C4H6O6/c1-18-10-4-8-13(18)15(19)17-12-7-2-5-11-6-3-9-16-14(11)12;5-1(3(7)8)2(6)4(9)10/h2-3,5-7,9,13H,4,8,10H2,1H3,(H,17,19);1-2,5-6H,(H,7,8)(H,9,10)/t13-;/m0./s1.
What are the key properties of 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide?
2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(2S)-1-methyl-N-quinolin-8-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 69443459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).