2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid

C11H14FNO3 — CID 82364357

IUPAC2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7(14)10(11(15)16)13-6-8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16)
InChIKeyDETWLCRKVBOEHX-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.75
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid

2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid (PubChem CID 82364357) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid
PubChem CID82364357
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7(14)10(11(15)16)13-6-8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16)
InChIKeyDETWLCRKVBOEHX-UHFFFAOYSA-N
XLogP0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(benzylamino)-3-hydroxybutanoic acid;(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
CID 158563738
2-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxybutanoic acid
CID 82364254
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
(2R)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 93056728
3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
4-[[[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]amino]methyl]benzoic acid
CID 87783224
2-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66527616
(2S,3S)-2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 120510431

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid (CID 82364357) is 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid is CC(O)C(NCc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid?
The InChIKey is DETWLCRKVBOEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(14)10(11(15)16)13-6-8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid?
2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid has a molecular weight of 227.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82364357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).