1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one

C14H22N2O4 — CID 79403206

IUPAC1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H22N2O4/c17-11-7-15(8-12(11)18)14(20)9-5-13(19)16(6-9)10-3-1-2-4-10/h9-12,17-18H,1-8H2/t9?,11-,12+
InChIKeyKYRYXLJQVCURSW-CLYYMRHHSA-N
MW282.34 g/mol
LogP-0.66
Rot. Bonds2

About 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one

1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 79403206) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID79403206
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H22N2O4/c17-11-7-15(8-12(11)18)14(20)9-5-13(19)16(6-9)10-3-1-2-4-10/h9-12,17-18H,1-8H2/t9?,11-,12+
InChIKeyKYRYXLJQVCURSW-CLYYMRHHSA-N
XLogP-0.66
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 66085474
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 79403206) is 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KYRYXLJQVCURSW-CLYYMRHHSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-11-7-15(8-12(11)18)14(20)9-5-13(19)16(6-9)10-3-1-2-4-10/h9-12,17-18H,1-8H2/t9?,11-,12+.
What are the key properties of 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 79403206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).