(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H27N3O3 — CID 31012061

IUPAC(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H27N3O3/c1-11(2)15(21)17-7-8-18-16(22)12-9-14(20)19(10-12)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m0/s1
InChIKeyDBAITMAQUXITBP-LBPRGKRZSA-N
MW309.41 g/mol
LogP0.67
Rot. Bonds6

About (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 31012061) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID31012061
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H27N3O3/c1-11(2)15(21)17-7-8-18-16(22)12-9-14(20)19(10-12)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m0/s1
InChIKeyDBAITMAQUXITBP-LBPRGKRZSA-N
XLogP0.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 31012061) is (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(C)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DBAITMAQUXITBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)15(21)17-7-8-18-16(22)12-9-14(20)19(10-12)13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,17,21)(H,18,22)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[2-(2-methylpropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 31012061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).