2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid

C17H25NO3 — CID 69495970

IUPAC2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(NC1CCCCC1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-2-17(16(20)21,18-14-6-4-3-5-7-14)12-13-8-10-15(19)11-9-13/h8-11,14,18-19H,2-7,12H2,1H3,(H,20,21)
InChIKeyLPPXWQGXKOIJMF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds6

About 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid

2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid (PubChem CID 69495970) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
PubChem CID69495970
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1ccc(O)cc1)(NC1CCCCC1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-2-17(16(20)21,18-14-6-4-3-5-7-14)12-13-8-10-15(19)11-9-13/h8-11,14,18-19H,2-7,12H2,1H3,(H,20,21)
InChIKeyLPPXWQGXKOIJMF-UHFFFAOYSA-N
XLogP3.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
CID 60997387
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(pentan-2-ylamino)butanoic acid
CID 69495925
2-benzyl-2-(cyclopropylamino)butanamide
CID 79007963
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(3-phenylpropanoylamino)butanoic acid
CID 68843476
2-(furan-2-ylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69496605
2-(cyclopentylamino)-4-(4-hydroxyphenyl)-2-methylbutanamide
CID 61001363
(2R)-2-cyclohexyl-3-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]-3-oxopropanoic acid
CID 125156207
2-(1,3-benzodioxole-5-carbonylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495896
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 68846027
2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid (CID 69495970) is 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid is CCC(Cc1ccc(O)cc1)(NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
The InChIKey is LPPXWQGXKOIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-17(16(20)21,18-14-6-4-3-5-7-14)12-13-8-10-15(19)11-9-13/h8-11,14,18-19H,2-7,12H2,1H3,(H,20,21).
What are the key properties of 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid?
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 69495970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).