2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid

C18H27NO2 — CID 60997722

IUPAC2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)(NC2CCCCCC2)C(=O)O)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-11-16(14(2)12-13)18(3,17(20)21)19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyFUARWJMPAOJKFA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.92
Rot. Bonds4

About 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid

2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid (PubChem CID 60997722) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
PubChem CID60997722
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)(NC2CCCCCC2)C(=O)O)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-11-16(14(2)12-13)18(3,17(20)21)19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9H2,1-3H3,(H,20,21)
InChIKeyFUARWJMPAOJKFA-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
2-(2,5-dimethylphenyl)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 114999802
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 61002717
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid (CID 60997722) is 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid is Cc1ccc(C(C)(NC2CCCCCC2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid?
The InChIKey is FUARWJMPAOJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-10-11-16(14(2)12-13)18(3,17(20)21)19-15-8-6-4-5-7-9-15/h10-12,15,19H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid?
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 60997722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).