(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide

C12H17N3O4 — CID 124631707

IUPAC(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide
SMILESNC(=O)[C@@H]1C(=O)C(=O)N(C2CCCCC2)[C@H]1C(N)=O
InChIInChI=1S/C12H17N3O4/c13-10(17)7-8(11(14)18)15(12(19)9(7)16)6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,13,17)(H2,14,18)/t7-,8+/m0/s1
InChIKeyXAOGVIHWOSQUGM-JGVFFNPUSA-N
MW267.28 g/mol
LogP-1.31
Rot. Bonds3

About (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide

(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide (PubChem CID 124631707) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide.

Molecular Properties

Compound Name(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide
PubChem CID124631707
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide
SMILESNC(=O)[C@@H]1C(=O)C(=O)N(C2CCCCC2)[C@H]1C(N)=O
InChIInChI=1S/C12H17N3O4/c13-10(17)7-8(11(14)18)15(12(19)9(7)16)6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,13,17)(H2,14,18)/t7-,8+/m0/s1
InChIKeyXAOGVIHWOSQUGM-JGVFFNPUSA-N
XLogP-1.31
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-2-cyclopentyl-1-oxo-4-N-(2-phenylethyl)-3,4-dihydroisoquinoline-3,4-dicarboxamide
CID 137389804
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
CID 166438548
(3aR,10aR)-1-cyclohexyl-5,6,7,8,9,10a-hexahydro-3aH-pyrrolo[2,3-g][1,5]diazonine-2,3,4,10-tetrone
CID 124631691
3-cyclohexyl-2-cyclopentyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457479
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
diethyl (2S,3R,4E)-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxylate
CID 7832466
1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
CID 69421394
(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide
CID 124550709
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
(4R)-1-cyclohexyl-4-methylazetidin-2-one
CID 177433299

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide?
The IUPAC name of (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide (CID 124631707) is (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide.
What is the SMILES notation for (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide?
The canonical SMILES for (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide is NC(=O)[C@@H]1C(=O)C(=O)N(C2CCCCC2)[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide?
The InChIKey is XAOGVIHWOSQUGM-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-10(17)7-8(11(14)18)15(12(19)9(7)16)6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,13,17)(H2,14,18)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide?
(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide has a molecular weight of 267.28 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide is sourced from PubChem (CID 124631707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).