(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid

C15H20FNO4 — CID 103926654

IUPAC(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-15(2,3)13(14(19)20)17-12(18)8-9-21-11-7-5-4-6-10(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyIEEUPTCNNFDELQ-ZDUSSCGKSA-N
MW297.33 g/mol
LogP2.21
Rot. Bonds6

About (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103926654) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID103926654
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO4/c1-15(2,3)13(14(19)20)17-12(18)8-9-21-11-7-5-4-6-10(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyIEEUPTCNNFDELQ-ZDUSSCGKSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic 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-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
(2S)-2-[3-(2-fluorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822360
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
(2S)-3,3-dimethyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid
CID 61143659
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid (CID 103926654) is (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)CCOc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is IEEUPTCNNFDELQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)13(14(19)20)17-12(18)8-9-21-11-7-5-4-6-10(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).