4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid

C15H23NO3 — CID 55027827

IUPAC4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(2)16(10-6-9-15(17)18)11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyHLWMTLBTPANYBD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds9

About 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid

4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid (PubChem CID 55027827) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
PubChem CID55027827
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-13(2)16(10-6-9-15(17)18)11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyHLWMTLBTPANYBD-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833954
4-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833789
3-[2-(4-cyanophenoxy)ethyl-propan-2-ylamino]propanoic acid
CID 60838663
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
CID 141046918
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
CID 60953631
9-phenoxynonanoic acid
CID 15887638
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
CID 62937826
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid (CID 55027827) is 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)CCOc1ccccc1.
What is the InChIKey of 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is HLWMTLBTPANYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2)16(10-6-9-15(17)18)11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid?
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 55027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).