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

C15H21NO2 — CID 122083043

IUPAC2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c1-12(15(17)18)16(14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18)
InChIKeyIPHBAOSGZVXNPY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds7

About 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid

2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid (PubChem CID 122083043) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
PubChem CID122083043
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c1-12(15(17)18)16(14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18)
InChIKeyIPHBAOSGZVXNPY-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 122083006
2-[[3-(benzylcarbamoylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100535
2-[cyclopropyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]propanoic acid
CID 122083156
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
3-[1-carboxyethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 82329065
2-[2-(3-bromophenyl)sulfonylethyl-cyclopropylamino]propanoic acid
CID 122100520
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
2-[cyclopropyl-[3-(3,5-dimethylphenoxy)propyl]amino]propanoic acid
CID 122083029
2-[[2-(2-benzylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122100876
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid (CID 122083043) is 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid is CC(C(=O)O)N(CCCc1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
The InChIKey is IPHBAOSGZVXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(15(17)18)16(14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid?
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 122083043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).