(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide

C10H19FN2O2 — CID 131941359

IUPAC(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCNC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H19FN2O2/c1-2-3-4-5-12-10(15)13-6-8(11)9(14)7-13/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyOVKAMMPYEZLTMS-RKDXNWHRSA-N
MW218.27 g/mol
LogP0.90
Rot. Bonds4

About (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide

(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide (PubChem CID 131941359) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide
PubChem CID131941359
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCNC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H19FN2O2/c1-2-3-4-5-12-10(15)13-6-8(11)9(14)7-13/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyOVKAMMPYEZLTMS-RKDXNWHRSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide (CID 131941359) is (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide is CCCCCNC(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide?
The InChIKey is OVKAMMPYEZLTMS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-3-4-5-12-10(15)13-6-8(11)9(14)7-13/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide?
(3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide has a molecular weight of 218.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-hydroxy-N-pentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 131941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).