methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate

C16H18N4O4 — CID 50952721

IUPACmethyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3[nH]c2=O)CN1C
InChIInChI=1S/C16H18N4O4/c1-20-8-9(7-12(20)16(23)24-2)17-14(21)13-15(22)19-11-6-4-3-5-10(11)18-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,21)(H,19,22)/t9-,12+/m1/s1
InChIKeyHNKOEXMAQJAJEO-SKDRFNHKSA-N
MW330.34 g/mol
LogP-0.10
Rot. Bonds3

About methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate

methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate (PubChem CID 50952721) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
PubChem CID50952721
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3[nH]c2=O)CN1C
InChIInChI=1S/C16H18N4O4/c1-20-8-9(7-12(20)16(23)24-2)17-14(21)13-15(22)19-11-6-4-3-5-10(11)18-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,21)(H,19,22)/t9-,12+/m1/s1
InChIKeyHNKOEXMAQJAJEO-SKDRFNHKSA-N
XLogP-0.10
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
CID 99932155
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580
N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702354
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91775593
methyl (2S,4S)-4-[(2-methoxypyrimidine-5-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50951180
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 95193985
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate (CID 50952721) is methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3[nH]c2=O)CN1C.
What is the InChIKey of methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate?
The InChIKey is HNKOEXMAQJAJEO-SKDRFNHKSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-20-8-9(7-12(20)16(23)24-2)17-14(21)13-15(22)19-11-6-4-3-5-10(11)18-13/h3-6,9,12H,7-8H2,1-2H3,(H,17,21)(H,19,22)/t9-,12+/m1/s1.
What are the key properties of methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate?
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate has a molecular weight of 330.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate is sourced from PubChem (CID 50952721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).