3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid

C17H25NO3 — CID 115493172

IUPAC3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCCCCc1ccc(OCC(C)(NC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-3-4-5-13-6-10-15(11-7-13)21-12-17(2,16(19)20)18-14-8-9-14/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyPFNIDZGJFYZFMW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.00
Rot. Bonds9

About 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid

3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid (PubChem CID 115493172) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
PubChem CID115493172
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCCCCc1ccc(OCC(C)(NC2CC2)C(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-3-4-5-13-6-10-15(11-7-13)21-12-17(2,16(19)20)18-14-8-9-14/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyPFNIDZGJFYZFMW-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic 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

2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63921694
methyl 2-(4-butylphenoxy)-2-cyclopropylacetate
CID 113322628
methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
CID 60795651
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
3-(4-butylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 113322741

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid (CID 115493172) is 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid is CCCCc1ccc(OCC(C)(NC2CC2)C(=O)O)cc1.
What is the InChIKey of 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The InChIKey is PFNIDZGJFYZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-5-13-6-10-15(11-7-13)21-12-17(2,16(19)20)18-14-8-9-14/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 115493172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).