3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid

C15H21NO2 — CID 65054486

IUPAC3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-11-3-5-13(6-4-11)12(2)16(14-7-8-14)10-9-15(17)18/h3-6,12,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyIXDUHCSQTIOPFX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.00
Rot. Bonds6

About 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid (PubChem CID 65054486) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
PubChem CID65054486
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H21NO2/c1-11-3-5-13(6-4-11)12(2)16(14-7-8-14)10-9-15(17)18/h3-6,12,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyIXDUHCSQTIOPFX-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
3-[cyclopropyl-[1-(2,5-dihydroxyphenyl)ethyl]amino]propanoic acid
CID 65055025
3-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
CID 65054983
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid
CID 112516870
3-[cyclopropyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanoic acid
CID 60844706
3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid
CID 65054538
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid (CID 65054486) is 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid is Cc1ccc(C(C)N(CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid?
The InChIKey is IXDUHCSQTIOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-3-5-13(6-4-11)12(2)16(14-7-8-14)10-9-15(17)18/h3-6,12,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65054486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).