(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate

C11H16NO3- — CID 6920281

IUPAC(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H17NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)/p-1/t8-/m1/s1
InChIKeyJXNDLFWQCQNSRP-MRVPVSSYSA-M
MW210.25 g/mol
LogP-0.08
Rot. Bonds2

About (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate

(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 6920281) has the molecular formula C11H16NO3- and a molecular weight of 210.25 g/mol. Its IUPAC name is (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
PubChem CID6920281
Molecular FormulaC11H16NO3-
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H17NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)/p-1/t8-/m1/s1
InChIKeyJXNDLFWQCQNSRP-MRVPVSSYSA-M
XLogP-0.08
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 154733807
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate
CID 46949921
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate (CID 6920281) is (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JXNDLFWQCQNSRP-MRVPVSSYSA-M. The full InChI is InChI=1S/C11H17NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)/p-1/t8-/m1/s1.
What are the key properties of (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate?
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 210.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6920281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).