2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid

C14H12N2O4 — CID 102710831

IUPAC2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C14H12N2O4/c1-2-3-11(14(19)20)16-13(18)8-4-5-10-9(6-8)7-12(17)15-10/h1,4-6,11H,3,7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyMAKQYNPXQOURFI-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.39
Rot. Bonds4

About 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid

2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid (PubChem CID 102710831) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
PubChem CID102710831
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
SMILESC#CCC(NC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C14H12N2O4/c1-2-3-11(14(19)20)16-13(18)8-4-5-10-9(6-8)7-12(17)15-10/h1,4-6,11H,3,7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyMAKQYNPXQOURFI-UHFFFAOYSA-N
XLogP0.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710665
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid (CID 102710831) is 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid is C#CCC(NC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid?
The InChIKey is MAKQYNPXQOURFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-2-3-11(14(19)20)16-13(18)8-4-5-10-9(6-8)7-12(17)15-10/h1,4-6,11H,3,7H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid?
2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid has a molecular weight of 272.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid is sourced from PubChem (CID 102710831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).