3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid

C15H21NO2 — CID 60838690

IUPAC3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeySPMCHUNGUJPUPZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds8

About 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid

3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid (PubChem CID 60838690) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
PubChem CID60838690
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
SMILESO=C(O)CCN(CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeySPMCHUNGUJPUPZ-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54434056
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid (CID 60838690) is 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid is O=C(O)CCN(CCCc1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The InChIKey is SPMCHUNGUJPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)10-12-16(14-8-9-14)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18).
What are the key properties of 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 60838690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).