(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid

C14H15N3O3 — CID 79010985

IUPAC(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-8(2)12(14(19)20)17-13(18)9-3-4-10-11(7-9)16-6-5-15-10/h3-8,12H,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyRCNCEYDOZGBCQK-GFCCVEGCSA-N
MW273.29 g/mol
LogP1.47
Rot. Bonds4

About (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid

(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid (PubChem CID 79010985) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
PubChem CID79010985
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-8(2)12(14(19)20)17-13(18)9-3-4-10-11(7-9)16-6-5-15-10/h3-8,12H,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyRCNCEYDOZGBCQK-GFCCVEGCSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
(2R)-3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 94881678
3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 62849345
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
CID 106354926
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
(2S)-4-amino-4-oxo-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 63714065
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid (CID 79010985) is (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid is CC(C)[C@@H](NC(=O)c1ccc2nccnc2c1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The InChIKey is RCNCEYDOZGBCQK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(2)12(14(19)20)17-13(18)9-3-4-10-11(7-9)16-6-5-15-10/h3-8,12H,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 79010985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).