2-(quinoxaline-6-carbonylamino)pentanoic acid

C14H15N3O3 — CID 62849348

IUPAC2-(quinoxaline-6-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-2-3-11(14(19)20)17-13(18)9-4-5-10-12(8-9)16-7-6-15-10/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyBFQGVWXYOQCNHV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds5

About 2-(quinoxaline-6-carbonylamino)pentanoic acid

2-(quinoxaline-6-carbonylamino)pentanoic acid (PubChem CID 62849348) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(quinoxaline-6-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(quinoxaline-6-carbonylamino)pentanoic acid
PubChem CID62849348
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(quinoxaline-6-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-2-3-11(14(19)20)17-13(18)9-4-5-10-12(8-9)16-7-6-15-10/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyBFQGVWXYOQCNHV-UHFFFAOYSA-N
XLogP1.61
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
(2S)-4-amino-4-oxo-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 63714065
N-(1-amino-1-sulfanylidenebutan-2-yl)quinoxaline-6-carboxamide
CID 55126981
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
(2R)-2-[(1-ethylbenzotriazole-5-carbonyl)amino]pentanoic acid
CID 107563435
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 94881678
3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 62849345
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxaline-6-carbonylamino)pentanoic acid?
The IUPAC name of 2-(quinoxaline-6-carbonylamino)pentanoic acid (CID 62849348) is 2-(quinoxaline-6-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(quinoxaline-6-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(quinoxaline-6-carbonylamino)pentanoic acid is CCCC(NC(=O)c1ccc2nccnc2c1)C(=O)O.
What is the InChIKey of 2-(quinoxaline-6-carbonylamino)pentanoic acid?
The InChIKey is BFQGVWXYOQCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-3-11(14(19)20)17-13(18)9-4-5-10-12(8-9)16-7-6-15-10/h4-8,11H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(quinoxaline-6-carbonylamino)pentanoic acid?
2-(quinoxaline-6-carbonylamino)pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxaline-6-carbonylamino)pentanoic acid is sourced from PubChem (CID 62849348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).