3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid

C15H21NO3 — CID 62140295

IUPAC3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
SMILESCCNC(COC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-16-15(14(17)18,11-19-13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyRMVJYZBUYLGBDR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds7

About 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid

3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid (PubChem CID 62140295) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
PubChem CID62140295
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
SMILESCCNC(COC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-16-15(14(17)18,11-19-13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyRMVJYZBUYLGBDR-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic 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

3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid (CID 62140295) is 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid is CCNC(COC1CCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid?
The InChIKey is RMVJYZBUYLGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16-15(14(17)18,11-19-13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid?
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62140295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).