2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid

C13H14N4O3 — CID 67154830

IUPAC2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)c1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C13H14N4O3/c14-8(13(19)20)5-6-15-12(18)11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7-8H,5-6,14H2,(H,15,18)(H,19,20)
InChIKeyNBLBEOCVDPDEGZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.16
Rot. Bonds5

About 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid

2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid (PubChem CID 67154830) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
PubChem CID67154830
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)c1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C13H14N4O3/c14-8(13(19)20)5-6-15-12(18)11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7-8H,5-6,14H2,(H,15,18)(H,19,20)
InChIKeyNBLBEOCVDPDEGZ-UHFFFAOYSA-N
XLogP0.16
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[(5S)-5-amino-6-(3,3-difluoroazetidin-1-yl)-6-oxohexyl]quinoxaline-2-carboxamide
CID 59988071
N-[5-amino-6-oxo-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexyl]quinoxaline-2-carboxamide
CID 72994390
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816
N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid (CID 67154830) is 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid is NC(CCNC(=O)c1cnc2ccccc2n1)C(=O)O.
What is the InChIKey of 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid?
The InChIKey is NBLBEOCVDPDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-8(13(19)20)5-6-15-12(18)11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7-8H,5-6,14H2,(H,15,18)(H,19,20).
What are the key properties of 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid?
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid is sourced from PubChem (CID 67154830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).