(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide

C14H22N2O2 — CID 164630881

IUPAC(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCC(=O)N1)C1=CCCC1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-5-3-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h5,11H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyIRDXKERSYPOPMM-NSHDSACASA-N
MW250.34 g/mol
LogP1.52
Rot. Bonds4

About (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 164630881) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID164630881
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCC(=O)N1)C1=CCCC1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-5-3-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h5,11H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyIRDXKERSYPOPMM-NSHDSACASA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide (CID 164630881) is (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide is CC(C)(CNC(=O)[C@@H]1CCC(=O)N1)C1=CCCC1.
What is the InChIKey of (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IRDXKERSYPOPMM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,10-5-3-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h5,11H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclopenten-1-yl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 164630881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).