3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid

C10H12FNO3 — CID 134271011

IUPAC3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)NCO
InChIInChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)5-9(10(14)15)12-6-13/h1-4,9,12-13H,5-6H2,(H,14,15)
InChIKeyHZHQOMGZMJYLHH-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.36
Rot. Bonds5

About 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid

3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid (PubChem CID 134271011) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
PubChem CID134271011
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)NCO
InChIInChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)5-9(10(14)15)12-6-13/h1-4,9,12-13H,5-6H2,(H,14,15)
InChIKeyHZHQOMGZMJYLHH-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 155171061
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
[(2S)-3-(2-fluorophenyl)-1-methyliodanuidyl-1-oxopropan-2-yl]carbamic acid
CID 163619235
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
3-(2-fluorophenyl)-2-phosphonopropanoic acid
CID 152752662

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid (CID 134271011) is 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid is O=C(O)C(Cc1ccccc1F)NCO.
What is the InChIKey of 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid?
The InChIKey is HZHQOMGZMJYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-4-2-1-3-7(8)5-9(10(14)15)12-6-13/h1-4,9,12-13H,5-6H2,(H,14,15).
What are the key properties of 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid?
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid is sourced from PubChem (CID 134271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).