(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide

C9H16FNO2 — CID 131159955

IUPAC(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCC1(F)CCCC1
InChIInChI=1S/C9H16FNO2/c1-7(12)8(13)11-6-9(10)4-2-3-5-9/h7,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyFXTWEDUTPVYGQK-ZETCQYMHSA-N
MW189.23 g/mol
LogP0.77
Rot. Bonds3

About (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide

(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide (PubChem CID 131159955) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide
PubChem CID131159955
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCC1(F)CCCC1
InChIInChI=1S/C9H16FNO2/c1-7(12)8(13)11-6-9(10)4-2-3-5-9/h7,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyFXTWEDUTPVYGQK-ZETCQYMHSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 89973003
n-Hexyl-2-hydroxypropanamide
CID 223428
(2S)-N-hexyl-2-hydroxypropanamide
CID 92267594
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103730662
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103755875
N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 103770151
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-2-methylpropanamide
CID 109928076
N-(2-cyclopentyl-2-hydroxyethyl)-2-fluoro-2-methylpropanamide
CID 109928133
2-fluoro-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 109928443
2-fluoro-N-(2-hydroxy-3-methylpentyl)-2-methylpropanamide
CID 109928456
3,3-difluoro-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 114094434

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide (CID 131159955) is (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide is C[C@H](O)C(=O)NCC1(F)CCCC1.
What is the InChIKey of (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide?
The InChIKey is FXTWEDUTPVYGQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(12)8(13)11-6-9(10)4-2-3-5-9/h7,12H,2-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide?
(2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide has a molecular weight of 189.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-fluorocyclopentyl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 131159955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).