N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide

C8H15FN2O2 — CID 123557508

IUPACN-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1CNCC1F
InChIInChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13)
InChIKeyAJBCRWOBIQLGGT-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.96
Rot. Bonds3

About N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide

N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide (PubChem CID 123557508) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
PubChem CID123557508
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC NameN-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1CNCC1F
InChIInChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13)
InChIKeyAJBCRWOBIQLGGT-UHFFFAOYSA-N
XLogP-0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
CID 141430832
N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
CID 144716302
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 83030863
N-[(2R)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 83032048
2,2,2-Trifluoro-1-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 84059037
N-[(1-acetyl-4-hydroxypyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84083148
(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide
CID 102300941
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
CID 103726148

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?
The IUPAC name of N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide (CID 123557508) is N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide is CC(O)C(=O)NCC1CNCC1F.
What is the InChIKey of N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?
The InChIKey is AJBCRWOBIQLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-5(12)8(13)11-3-6-2-10-4-7(6)9/h5-7,10,12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?
N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide has a molecular weight of 190.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 123557508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).