2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid

C16H23NO2 — CID 82090569

IUPAC2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-17(2)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyVIAZLZWTWNJEDU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds4

About 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid

2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid (PubChem CID 82090569) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
PubChem CID82090569
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-17(2)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyVIAZLZWTWNJEDU-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-(4-methylphenyl)propanoic acid
CID 13153065
2-chloro-1-(4-cyclohexylphenyl)-N,N-dimethylethanamine
CID 116907408
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid (CID 82090569) is 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid is CN(C)C(C(=O)O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid?
The InChIKey is VIAZLZWTWNJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(2)15(16(18)19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid?
2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-(dimethylamino)acetic acid is sourced from PubChem (CID 82090569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).