3-[1-phenylpropyl(propyl)amino]propanoic acid

C15H23NO2 — CID 119135012

IUPAC3-[1-phenylpropyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(CC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-11-16(12-10-15(17)18)14(4-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18)
InChIKeyCWMKBJDLURVQAT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.32
Rot. Bonds8

About 3-[1-phenylpropyl(propyl)amino]propanoic acid

3-[1-phenylpropyl(propyl)amino]propanoic acid (PubChem CID 119135012) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[1-phenylpropyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-phenylpropyl(propyl)amino]propanoic acid
PubChem CID119135012
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[1-phenylpropyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(CC)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-11-16(12-10-15(17)18)14(4-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18)
InChIKeyCWMKBJDLURVQAT-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980922
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
CID 65063117
3-[1-(4-bromophenyl)propyl-methylamino]propanoic acid
CID 65062958
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
4-[bis(2-chloroethyl)amino]-4-phenylbutanoic acid
CID 15789035
3-[butan-2-yl(3-phenylpropyl)amino]propanoic acid
CID 82329035
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950

Frequently Asked Questions

What is the IUPAC name of 3-[1-phenylpropyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[1-phenylpropyl(propyl)amino]propanoic acid (CID 119135012) is 3-[1-phenylpropyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-phenylpropyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[1-phenylpropyl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(CC)c1ccccc1.
What is the InChIKey of 3-[1-phenylpropyl(propyl)amino]propanoic acid?
The InChIKey is CWMKBJDLURVQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-11-16(12-10-15(17)18)14(4-2)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-phenylpropyl(propyl)amino]propanoic acid?
3-[1-phenylpropyl(propyl)amino]propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-phenylpropyl(propyl)amino]propanoic acid is sourced from PubChem (CID 119135012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).