(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide

C17H23FN2O2 — CID 72841478

IUPAC(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-5-3-6-14)16(21)19-9-13-4-2-7-15(18)8-13/h2,4,7-8,12,14,22H,3,5-6,9-11H2,1H3,(H,19,21)/t12-,17+/m1/s1
InChIKeyILPIZVNTQVKCGI-PXAZEXFGSA-N
MW306.38 g/mol
LogP2.52
Rot. Bonds3

About (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide

(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide (PubChem CID 72841478) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
PubChem CID72841478
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-5-3-6-14)16(21)19-9-13-4-2-7-15(18)8-13/h2,4,7-8,12,14,22H,3,5-6,9-11H2,1H3,(H,19,21)/t12-,17+/m1/s1
InChIKeyILPIZVNTQVKCGI-PXAZEXFGSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide (CID 72841478) is (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide is C[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The InChIKey is ILPIZVNTQVKCGI-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-5-3-6-14)16(21)19-9-13-4-2-7-15(18)8-13/h2,4,7-8,12,14,22H,3,5-6,9-11H2,1H3,(H,19,21)/t12-,17+/m1/s1.
What are the key properties of (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
(3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclobutyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).