3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid

C15H21NO2 — CID 117244178

IUPAC3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CNC1CCCC1)C(=O)O
InChIInChI=1S/C15H21NO2/c1-11-6-2-5-9-13(11)14(15(17)18)10-16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8,10H2,1H3,(H,17,18)
InChIKeyPAVILSXVQIKKCW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds5

About 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid

3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid (PubChem CID 117244178) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
PubChem CID117244178
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CNC1CCCC1)C(=O)O
InChIInChI=1S/C15H21NO2/c1-11-6-2-5-9-13(11)14(15(17)18)10-16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8,10H2,1H3,(H,17,18)
InChIKeyPAVILSXVQIKKCW-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
3-cyclopropyl-2-(2-methylphenyl)propanoic acid
CID 79441994
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
CID 117240781
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid (CID 117244178) is 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CNC1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid?
The InChIKey is PAVILSXVQIKKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-2-5-9-13(11)14(15(17)18)10-16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid?
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 117244178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).