2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid

C17H25NO3 — CID 60997387

IUPAC2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
SMILESCCC(NC1CCCCCC1)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C17H25NO3/c1-2-17(16(20)21,13-9-11-15(19)12-10-13)18-14-7-5-3-4-6-8-14/h9-12,14,18-19H,2-8H2,1H3,(H,20,21)
InChIKeyODHBFNMOYMOZNI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.39
Rot. Bonds5

About 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid

2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid (PubChem CID 60997387) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
PubChem CID60997387
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
SMILESCCC(NC1CCCCCC1)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C17H25NO3/c1-2-17(16(20)21,13-9-11-15(19)12-10-13)18-14-7-5-3-4-6-8-14/h9-12,14,18-19H,2-8H2,1H3,(H,20,21)
InChIKeyODHBFNMOYMOZNI-UHFFFAOYSA-N
XLogP3.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid
CID 60998177
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
2-(cyclopentylamino)-2-(4-ethylphenyl)butanamide
CID 60997547
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid (CID 60997387) is 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid is CCC(NC1CCCCCC1)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid?
The InChIKey is ODHBFNMOYMOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-17(16(20)21,13-9-11-15(19)12-10-13)18-14-7-5-3-4-6-8-14/h9-12,14,18-19H,2-8H2,1H3,(H,20,21).
What are the key properties of 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid?
2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 60997387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).