2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid

C15H16N2O3 — CID 106901670

IUPAC2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
SMILESC#CCC(NC(=O)C1CNc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)11-8-10-6-3-4-7-12(10)16-9-11/h1,3-4,6-7,11,13,16H,5,8-9H2,(H,17,18)(H,19,20)
InChIKeyGQEUBGOVBYNYCA-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.86
Rot. Bonds4

About 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid

2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid (PubChem CID 106901670) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
PubChem CID106901670
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
SMILESC#CCC(NC(=O)C1CNc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)11-8-10-6-3-4-7-12(10)16-9-11/h1,3-4,6-7,11,13,16H,5,8-9H2,(H,17,18)(H,19,20)
InChIKeyGQEUBGOVBYNYCA-UHFFFAOYSA-N
XLogP0.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901728
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)pent-4-ynoic acid
CID 107843037
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901441
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106160965
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid (CID 106901670) is 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid is C#CCC(NC(=O)C1CNc2ccccc2C1)C(=O)O.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid?
The InChIKey is GQEUBGOVBYNYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-5-13(15(19)20)17-14(18)11-8-10-6-3-4-7-12(10)16-9-11/h1,3-4,6-7,11,13,16H,5,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid?
2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid is sourced from PubChem (CID 106901670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).