(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide

C11H15FN2O2 — CID 119301140

IUPAC(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(13)11(16)14-5-8-2-3-9(6-15)10(12)4-8/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyOSKNJQWBYKCBFM-ZETCQYMHSA-N
MW226.25 g/mol
LogP0.28
Rot. Bonds4

About (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide

(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 119301140) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID119301140
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESC[C@H](N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-7(13)11(16)14-5-8-2-3-9(6-15)10(12)4-8/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyOSKNJQWBYKCBFM-ZETCQYMHSA-N
XLogP0.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N-Isopropyl-4-hydroxymethylbenzamide
CID 152129
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-methyloxalamide
CID 56765496
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765502
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451
N1-(4-fluorobenzyl)-N2-(3-hydroxy-3-phenylpropyl)oxalamide
CID 71782302
2-(2,5-dimethylpyrrolidin-1-yl)-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]propanamide
CID 71910884
N-[(2S)-2-(dimethylamino)pentyl]-2-[4-(hydroxymethyl)phenyl]acetamide
CID 129613881
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]amino]pentanamide
CID 10173492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide (CID 119301140) is (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide is C[C@H](N)C(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is OSKNJQWBYKCBFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(13)11(16)14-5-8-2-3-9(6-15)10(12)4-8/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide?
(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119301140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).