(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate

C11H14FNO3 — CID 107837622

IUPAC(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C11H14FNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(14)5-6-13/h1-4,10,14H,5-7,13H2
InChIKeyIKDZWOZYFQIPDN-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.58
Rot. Bonds5

About (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate

(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate (PubChem CID 107837622) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
PubChem CID107837622
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)OCc1ccccc1F
InChIInChI=1S/C11H14FNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(14)5-6-13/h1-4,10,14H,5-7,13H2
InChIKeyIKDZWOZYFQIPDN-UHFFFAOYSA-N
XLogP0.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
(2-fluorophenyl)methyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909728
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
phenyl 4-amino-2-hydroxybutanoate
CID 54754307
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
CID 63933223

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate?
The IUPAC name of (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate (CID 107837622) is (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate is NCCC(O)C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate?
The InChIKey is IKDZWOZYFQIPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(14)5-6-13/h1-4,10,14H,5-7,13H2.
What are the key properties of (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate?
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate has a molecular weight of 227.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).