3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid

C16H23NO3 — CID 62140296

IUPAC3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-11-17-16(15(18)19,12-20-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyHPQPQHBKLLEBIJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.54
Rot. Bonds8

About 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid

3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid (PubChem CID 62140296) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
PubChem CID62140296
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-11-17-16(15(18)19,12-20-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyHPQPQHBKLLEBIJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic 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-(ethylamino)-2-phenylpropanoic acid
CID 62140295
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid (CID 62140296) is 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid is CCCNC(COC1CCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid?
The InChIKey is HPQPQHBKLLEBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-11-17-16(15(18)19,12-20-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid?
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 62140296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).