[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate

C19H31NO4 — CID 124857189

IUPAC[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
SMILESCO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C19H31NO4/c1-13-6-8-15(9-7-13)20-12-14(10-18(20)21)19(22)24-17-5-3-4-16(11-17)23-2/h13-17H,3-12H2,1-2H3/t13?,14-,15?,16-,17-/m1/s1
InChIKeyAVGVGGVDRFCEAA-GLUHHBOGSA-N
MW337.46 g/mol
LogP2.91
Rot. Bonds4

About [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate

[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 124857189) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID124857189
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
SMILESCO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C19H31NO4/c1-13-6-8-15(9-7-13)20-12-14(10-18(20)21)19(22)24-17-5-3-4-16(11-17)23-2/h13-17H,3-12H2,1-2H3/t13?,14-,15?,16-,17-/m1/s1
InChIKeyAVGVGGVDRFCEAA-GLUHHBOGSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(1S,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 124857188
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
[(1S,3S)-3-methoxycyclohexyl] 4-oxocyclohexane-1-carboxylate
CID 97319955
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 62086742
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate (CID 124857189) is [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate is CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1.
What is the InChIKey of [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AVGVGGVDRFCEAA-GLUHHBOGSA-N. The full InChI is InChI=1S/C19H31NO4/c1-13-6-8-15(9-7-13)20-12-14(10-18(20)21)19(22)24-17-5-3-4-16(11-17)23-2/h13-17H,3-12H2,1-2H3/t13?,14-,15?,16-,17-/m1/s1.
What are the key properties of [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate?
[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 124857189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).