(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide

C15H24FN3O2 — CID 120963254

IUPAC(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-8-13(15(17)21)19(9-12)10-14(20)18-7-6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,21)(H,18,20)/t12-,13+/m1/s1
InChIKeySSCRDCNBISWMQZ-OLZOCXBDSA-N
MW297.37 g/mol
LogP0.89
Rot. Bonds6

About (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120963254) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120963254
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-8-13(15(17)21)19(9-12)10-14(20)18-7-6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,21)(H,18,20)/t12-,13+/m1/s1
InChIKeySSCRDCNBISWMQZ-OLZOCXBDSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide (CID 120963254) is (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is SSCRDCNBISWMQZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24FN3O2/c16-12-8-13(15(17)21)19(9-12)10-14(20)18-7-6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,21)(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 297.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120963254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).