(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid

C12H12N4O3 — CID 67154498

IUPAC(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
SMILESN[C@@H](CNC(=O)c1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N4O3/c13-7(12(18)19)5-15-11(17)10-6-14-8-3-1-2-4-9(8)16-10/h1-4,6-7H,5,13H2,(H,15,17)(H,18,19)/t7-/m0/s1
InChIKeyXKQAGZPNLVATSD-ZETCQYMHSA-N
MW260.25 g/mol
LogP-0.23
Rot. Bonds4

About (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid

(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid (PubChem CID 67154498) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
PubChem CID67154498
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
SMILESN[C@@H](CNC(=O)c1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N4O3/c13-7(12(18)19)5-15-11(17)10-6-14-8-3-1-2-4-9(8)16-10/h1-4,6-7H,5,13H2,(H,15,17)(H,18,19)/t7-/m0/s1
InChIKeyXKQAGZPNLVATSD-ZETCQYMHSA-N
XLogP-0.23
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide
CID 104954959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid (CID 67154498) is (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid is N[C@@H](CNC(=O)c1cnc2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid?
The InChIKey is XKQAGZPNLVATSD-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-7(12(18)19)5-15-11(17)10-6-14-8-3-1-2-4-9(8)16-10/h1-4,6-7H,5,13H2,(H,15,17)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid?
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid has a molecular weight of 260.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid is sourced from PubChem (CID 67154498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).