3-[ethyl(3-phenylpropyl)amino]butanoic acid

C15H23NO2 — CID 62826742

IUPAC3-[ethyl(3-phenylpropyl)amino]butanoic acid
SMILESCCN(CCCc1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C15H23NO2/c1-3-16(13(2)12-15(17)18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyMWLWKWWSDUPXJO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.80
Rot. Bonds8

About 3-[ethyl(3-phenylpropyl)amino]butanoic acid

3-[ethyl(3-phenylpropyl)amino]butanoic acid (PubChem CID 62826742) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[ethyl(3-phenylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(3-phenylpropyl)amino]butanoic acid
PubChem CID62826742
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[ethyl(3-phenylpropyl)amino]butanoic acid
SMILESCCN(CCCc1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C15H23NO2/c1-3-16(13(2)12-15(17)18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyMWLWKWWSDUPXJO-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl(3-phenylpropyl)amino]propanoic acid
CID 82329035
3-[ethyl(2-phenylsulfanylethyl)amino]butanoic acid
CID 79228922
heptylbenzene;3-methylbutanoic acid
CID 155109045
3-[1-carboxyethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 82329065
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
3-[ethyl(4-methoxybutyl)amino]butanoic acid
CID 104648446
3-(dibutylamino)-4-phenylbutanoic acid
CID 82352183
N-ethyl-N-(3-phenylpropyl)hydroxylamine
CID 146633464
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
3-[[3-(difluoromethyl)phenyl]methyl-ethylamino]butanoic acid
CID 113329340
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-phenylpropyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(3-phenylpropyl)amino]butanoic acid (CID 62826742) is 3-[ethyl(3-phenylpropyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(3-phenylpropyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(3-phenylpropyl)amino]butanoic acid is CCN(CCCc1ccccc1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(3-phenylpropyl)amino]butanoic acid?
The InChIKey is MWLWKWWSDUPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16(13(2)12-15(17)18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl(3-phenylpropyl)amino]butanoic acid?
3-[ethyl(3-phenylpropyl)amino]butanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-phenylpropyl)amino]butanoic acid is sourced from PubChem (CID 62826742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).