(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C17H29N3O2 — CID 100909546

IUPAC(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H29N3O2/c1-2-19-9-5-8-15(19)11-18-17(22)13-10-16(21)20(12-13)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,18,22)/t13-,15+/m0/s1
InChIKeyWPXFCXMOYKZDTN-DZGCQCFKSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds5

About (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 100909546) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID100909546
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H29N3O2/c1-2-19-9-5-8-15(19)11-18-17(22)13-10-16(21)20(12-13)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,18,22)/t13-,15+/m0/s1
InChIKeyWPXFCXMOYKZDTN-DZGCQCFKSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 41020368
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 100909546) is (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPXFCXMOYKZDTN-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-19-9-5-8-15(19)11-18-17(22)13-10-16(21)20(12-13)14-6-3-4-7-14/h13-15H,2-12H2,1H3,(H,18,22)/t13-,15+/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).