3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid

C15H21NO2 — CID 65054443

IUPAC3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
SMILESCCc1ccccc1CN(CCC(=O)O)C1CC1
InChIInChI=1S/C15H21NO2/c1-2-12-5-3-4-6-13(12)11-16(14-7-8-14)10-9-15(17)18/h3-6,14H,2,7-11H2,1H3,(H,17,18)
InChIKeyMJUZRMRVCCUSEH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds7

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

3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid (PubChem CID 65054443) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
PubChem CID65054443
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
SMILESCCc1ccccc1CN(CCC(=O)O)C1CC1
InChIInChI=1S/C15H21NO2/c1-2-12-5-3-4-6-13(12)11-16(14-7-8-14)10-9-15(17)18/h3-6,14H,2,7-11H2,1H3,(H,17,18)
InChIKeyMJUZRMRVCCUSEH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
CID 119994881
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[cyclopropyl-[(2,4-dihydroxyphenyl)methyl]amino]propanoic acid
CID 65054781
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 54925840
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid (CID 65054443) is 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid is CCc1ccccc1CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid?
The InChIKey is MJUZRMRVCCUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12-5-3-4-6-13(12)11-16(14-7-8-14)10-9-15(17)18/h3-6,14H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 65054443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).