(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C17H30N2O2 — CID 95591973

IUPAC(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)10-18(13(3)4)17(21)14-9-16(20)19(11-14)15-7-5-6-8-15/h12-15H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyJTCVJXBVGLXJHV-CQSZACIVSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds5

About (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 95591973) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID95591973
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(C)C
InChIInChI=1S/C17H30N2O2/c1-12(2)10-18(13(3)4)17(21)14-9-16(20)19(11-14)15-7-5-6-8-15/h12-15H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyJTCVJXBVGLXJHV-CQSZACIVSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 95591973) is (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(C)C.
What is the InChIKey of (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JTCVJXBVGLXJHV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)10-18(13(3)4)17(21)14-9-16(20)19(11-14)15-7-5-6-8-15/h12-15H,5-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95591973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).