N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide

C15H29FN2O2 — CID 130369100

IUPACN-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CO)CN1CC[C@H](F)C1
InChIInChI=1S/C15H29FN2O2/c1-2-3-4-5-6-7-15(20)17-14(12-19)11-18-9-8-13(16)10-18/h13-14,19H,2-12H2,1H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyUGVGIVVWXRZTSB-UONOGXRCSA-N
MW288.41 g/mol
LogP1.87
Rot. Bonds10

About N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide

N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide (PubChem CID 130369100) has the molecular formula C15H29FN2O2 and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide
PubChem CID130369100
Molecular FormulaC15H29FN2O2
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC NameN-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](CO)CN1CC[C@H](F)C1
InChIInChI=1S/C15H29FN2O2/c1-2-3-4-5-6-7-15(20)17-14(12-19)11-18-9-8-13(16)10-18/h13-14,19H,2-12H2,1H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyUGVGIVVWXRZTSB-UONOGXRCSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide?
The IUPAC name of N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide (CID 130369100) is N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide.
What is the SMILES notation for N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide?
The canonical SMILES for N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](CO)CN1CC[C@H](F)C1.
What is the InChIKey of N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide?
The InChIKey is UGVGIVVWXRZTSB-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29FN2O2/c1-2-3-4-5-6-7-15(20)17-14(12-19)11-18-9-8-13(16)10-18/h13-14,19H,2-12H2,1H3,(H,17,20)/t13-,14+/m0/s1.
What are the key properties of N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide?
N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide has a molecular weight of 288.41 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-hydroxypropan-2-yl]octanamide is sourced from PubChem (CID 130369100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).