[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate

C16H19N3O3 — CID 8890040

IUPAC[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
SMILESCC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H19N3O3/c1-10(2)9-19-15(20)11(3)22-16(21)12-4-5-13-14(8-12)18-7-6-17-13/h4-8,10-11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyAJKHDOMZFVZKPW-LLVKDONJSA-N
MW301.35 g/mol
LogP1.95
Rot. Bonds5

About [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate (PubChem CID 8890040) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
PubChem CID8890040
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
SMILESCC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H19N3O3/c1-10(2)9-19-15(20)11(3)22-16(21)12-4-5-13-14(8-12)18-7-6-17-13/h4-8,10-11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyAJKHDOMZFVZKPW-LLVKDONJSA-N
XLogP1.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959112
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 7676841
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765
5-methylhexan-2-yl quinoxaline-6-carboxylate
CID 171383157
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-amino-3-chlorobenzoate
CID 78998309
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890043
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064796
2-methylpropoxycarbonyl quinoxaline-6-carboxylate
CID 59208154
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382244
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate
CID 8890074
[1-oxo-1-(propylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18092071

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate (CID 8890040) is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The canonical SMILES for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate is CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccc2nccnc2c1.
What is the InChIKey of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The InChIKey is AJKHDOMZFVZKPW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(2)9-19-15(20)11(3)22-16(21)12-4-5-13-14(8-12)18-7-6-17-13/h4-8,10-11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate is sourced from PubChem (CID 8890040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).