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

C19H17N3O3 — CID 7676841

IUPAC[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13(18(23)22-12-14-5-3-2-4-6-14)25-19(24)15-7-8-16-17(11-15)21-10-9-20-16/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyISTLKBIGMPVBBP-CYBMUJFWSA-N
MW335.36 g/mol
LogP2.49
Rot. Bonds5

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

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate (PubChem CID 7676841) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
PubChem CID7676841
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13(18(23)22-12-14-5-3-2-4-6-14)25-19(24)15-7-8-16-17(11-15)21-10-9-20-16/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyISTLKBIGMPVBBP-CYBMUJFWSA-N
XLogP2.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890040
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7959252
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 7194216
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 7194215
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959179
[1-(benzylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 46790590
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013279
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133546
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501487

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate (CID 7676841) is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate.
What is the SMILES notation for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The canonical SMILES for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate is C[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
The InChIKey is ISTLKBIGMPVBBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(18(23)22-12-14-5-3-2-4-6-14)25-19(24)15-7-8-16-17(11-15)21-10-9-20-16/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate?
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).