2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid

C15H21NO4 — CID 107707552

IUPAC2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
SMILESCC(NC1CCCCC1)(C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(14(19)20,16-11-5-3-2-4-6-11)10-7-12(17)9-13(18)8-10/h7-9,11,16-18H,2-6H2,1H3,(H,19,20)
InChIKeyJOKICYWAMWQPKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid

2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid (PubChem CID 107707552) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
PubChem CID107707552
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
SMILESCC(NC1CCCCC1)(C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H21NO4/c1-15(14(19)20,16-11-5-3-2-4-6-11)10-7-12(17)9-13(18)8-10/h7-9,11,16-18H,2-6H2,1H3,(H,19,20)
InChIKeyJOKICYWAMWQPKD-UHFFFAOYSA-N
XLogP2.32
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanamide
CID 107707551
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(3,5-dihydroxyphenyl)-2-(methylamino)propanoic acid
CID 107707477
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
2-(cyclopentylamino)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 61002706
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid (CID 107707552) is 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid is CC(NC1CCCCC1)(C(=O)O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid?
The InChIKey is JOKICYWAMWQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(14(19)20,16-11-5-3-2-4-6-11)10-7-12(17)9-13(18)8-10/h7-9,11,16-18H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid?
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid is sourced from PubChem (CID 107707552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).