[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate

C15H17N3O3 — CID 7676763

IUPAC[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCC[C@H](C)NC(=O)COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-3-10(2)18-14(19)9-21-15(20)11-4-5-12-13(8-11)17-7-6-16-12/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyFQBKFSIBFPDNGH-JTQLQIEISA-N
MW287.32 g/mol
LogP1.70
Rot. Bonds5

About [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676763) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676763
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCC[C@H](C)NC(=O)COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O3/c1-3-10(2)18-14(19)9-21-15(20)11-4-5-12-13(8-11)17-7-6-16-12/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyFQBKFSIBFPDNGH-JTQLQIEISA-N
XLogP1.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2596743
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563385
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677460
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 8538167
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] quinoxaline-6-carboxylate
CID 7677365
[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] quinoxaline-6-carboxylate
CID 8953625
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(2,6-diethylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 40991554
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
CID 7676886
[2-(butan-2-ylamino)-2-oxoethyl] 3,5-diaminobenzoate
CID 61320645

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676763) is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate is CC[C@H](C)NC(=O)COC(=O)c1ccc2nccnc2c1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is FQBKFSIBFPDNGH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-10(2)18-14(19)9-21-15(20)11-4-5-12-13(8-11)17-7-6-16-12/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate?
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).