4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid

C15H17N3O3 — CID 82012991

IUPAC4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-10(2-5-14(19)20)9-18-15(21)11-3-4-12-13(8-11)17-7-6-16-12/h3-4,6-8,10H,2,5,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHLXMTNSPNANUGI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds6

About 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid

4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid (PubChem CID 82012991) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
PubChem CID82012991
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-10(2-5-14(19)20)9-18-15(21)11-3-4-12-13(8-11)17-7-6-16-12/h3-4,6-8,10H,2,5,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyHLXMTNSPNANUGI-UHFFFAOYSA-N
XLogP1.86
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
4-methyl-5-[(3-nitrobenzoyl)amino]pentanoic acid
CID 82684189
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid (CID 82012991) is 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid is CC(CCC(=O)O)CNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid?
The InChIKey is HLXMTNSPNANUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(2-5-14(19)20)9-18-15(21)11-3-4-12-13(8-11)17-7-6-16-12/h3-4,6-8,10H,2,5,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid?
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid is sourced from PubChem (CID 82012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).