2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid

C18H27NO2 — CID 61002706

IUPAC2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(C(C)(NC2CCCC2)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-14-8-10-15(11-9-14)18(3,17(20)21)19-16-6-4-5-7-16/h8-11,13,16,19H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyXLIKTQMHLVKNLO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.72
Rot. Bonds6

About 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid

2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid (PubChem CID 61002706) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
PubChem CID61002706
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(C(C)(NC2CCCC2)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-14-8-10-15(11-9-14)18(3,17(20)21)19-16-6-4-5-7-16/h8-11,13,16,19H,4-7,12H2,1-3H3,(H,20,21)
InChIKeyXLIKTQMHLVKNLO-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid (CID 61002706) is 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid is CC(C)Cc1ccc(C(C)(NC2CCCC2)C(=O)O)cc1.
What is the InChIKey of 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
The InChIKey is XLIKTQMHLVKNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)12-14-8-10-15(11-9-14)18(3,17(20)21)19-16-6-4-5-7-16/h8-11,13,16,19H,4-7,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid?
2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 61002706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).