1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide

C12H18F2N2O3 — CID 106168746

IUPAC1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C12H18F2N2O3/c13-12(14,7-17)6-15-10(18)9-2-1-5-16(9)11(19)8-3-4-8/h8-9,17H,1-7H2,(H,15,18)
InChIKeyYCQLSBXNDFRZRB-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.13
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 106168746) has the molecular formula C12H18F2N2O3 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID106168746
Molecular FormulaC12H18F2N2O3
Molecular Weight276.28 g/mol
Exact Mass276.13
IUPAC Name1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C12H18F2N2O3/c13-12(14,7-17)6-15-10(18)9-2-1-5-16(9)11(19)8-3-4-8/h8-9,17H,1-7H2,(H,15,18)
InChIKeyYCQLSBXNDFRZRB-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-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 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide (CID 106168746) is 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)CO)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is YCQLSBXNDFRZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3/c13-12(14,7-17)6-15-10(18)9-2-1-5-16(9)11(19)8-3-4-8/h8-9,17H,1-7H2,(H,15,18).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 276.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106168746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).