2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid

C16H23NO3 — CID 174492426

IUPAC2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCN(C1CCCCC1)C(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-17(13-5-3-2-4-6-13)15(16(19)20)11-12-7-9-14(18)10-8-12/h7-10,13,15,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyCAYWHUBYLDLLPV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid

2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 174492426) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
PubChem CID174492426
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCN(C1CCCCC1)C(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-17(13-5-3-2-4-6-13)15(16(19)20)11-12-7-9-14(18)10-8-12/h7-10,13,15,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyCAYWHUBYLDLLPV-UHFFFAOYSA-N
XLogP2.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[cyclopentyl(methyl)amino]-3-(4-methylphenyl)propanoic acid
CID 175818830
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 71886576
(2S)-2-[acetyl(ethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54080128
(2S)-2-(dichloroamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54511156
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494
(2S)-2-(diiodoamino)-3-(4-hydroxyphenyl)propanoic acid;methane
CID 118519695
(2S)-2-[acetyl(amino)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 173270660
2-[ethoxycarbonyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70070432
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2R)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 7010681
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid (CID 174492426) is 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid is CN(C1CCCCC1)C(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is CAYWHUBYLDLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(13-5-3-2-4-6-13)15(16(19)20)11-12-7-9-14(18)10-8-12/h7-10,13,15,18H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid?
2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 174492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).