(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid

C14H18FNO5 — CID 107822709

IUPAC(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H18FNO5/c1-14(2,21-10-5-3-9(15)4-6-10)13(20)16-11(7-8-17)12(18)19/h3-6,11,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyFEENYUVCXQWQQU-LLVKDONJSA-N
MW299.30 g/mol
LogP0.93
Rot. Bonds7

About (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107822709) has the molecular formula C14H18FNO5 and a molecular weight of 299.30 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
PubChem CID107822709
Molecular FormulaC14H18FNO5
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H18FNO5/c1-14(2,21-10-5-3-9(15)4-6-10)13(20)16-11(7-8-17)12(18)19/h3-6,11,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyFEENYUVCXQWQQU-LLVKDONJSA-N
XLogP0.93
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]pentanoic acid
CID 107562859
2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
CID 106167676
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107827366
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
CID 78851528
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid (CID 107822709) is (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid is CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is FEENYUVCXQWQQU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FNO5/c1-14(2,21-10-5-3-9(15)4-6-10)13(20)16-11(7-8-17)12(18)19/h3-6,11,17H,7-8H2,1-2H3,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 299.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).