(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide

C14H20N2O3S — CID 9364611

IUPAC(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCSC1=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H20N2O3S/c17-12-7-9(8-16(12)10-3-1-2-4-10)13(18)15-11-5-6-20-14(11)19/h9-11H,1-8H2,(H,15,18)/t9-,11+/m1/s1
InChIKeyNVMHGNAOWIALKD-KOLCDFICSA-N
MW296.39 g/mol
LogP0.93
Rot. Bonds3

About (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide (PubChem CID 9364611) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
PubChem CID9364611
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCSC1=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H20N2O3S/c17-12-7-9(8-16(12)10-3-1-2-4-10)13(18)15-11-5-6-20-14(11)19/h9-11H,1-8H2,(H,15,18)/t9-,11+/m1/s1
InChIKeyNVMHGNAOWIALKD-KOLCDFICSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 17081354
(3R)-1-cyclopentyl-5-oxo-N-[(3R)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 9364609
(3R)-5-oxo-N-[(3S)-2-oxothiolan-3-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400945
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide
CID 138638906
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17081269
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide (CID 9364611) is (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide is O=C(N[C@H]1CCSC1=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is NVMHGNAOWIALKD-KOLCDFICSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-12-7-9(8-16(12)10-3-1-2-4-10)13(18)15-11-5-6-20-14(11)19/h9-11H,1-8H2,(H,15,18)/t9-,11+/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).