(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide

C17H23FN2O2 — CID 72850758

IUPAC(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@@]1(O)C1CC1
InChIInChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-6-7-14)16(21)19-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,22H,6-11H2,1H3,(H,19,21)/t12-,17+/m1/s1
InChIKeyCARMTPSGFJPNCH-PXAZEXFGSA-N
MW306.38 g/mol
LogP2.17
Rot. Bonds4

About (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide

(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide (PubChem CID 72850758) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
PubChem CID72850758
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@@]1(O)C1CC1
InChIInChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-6-7-14)16(21)19-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,22H,6-11H2,1H3,(H,19,21)/t12-,17+/m1/s1
InChIKeyCARMTPSGFJPNCH-PXAZEXFGSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide (CID 72850758) is (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide is C[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
The InChIKey is CARMTPSGFJPNCH-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-10-20(11-17(12,22)14-6-7-14)16(21)19-9-8-13-4-2-3-5-15(13)18/h2-5,12,14,22H,6-11H2,1H3,(H,19,21)/t12-,17+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide?
(3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-4-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72850758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).