2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid

C16H23NO2 — CID 117408120

IUPAC2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
SMILESCC1(C)CCC(c2ccc(C(N)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2)9-7-12(8-10-16)11-3-5-13(6-4-11)14(17)15(18)19/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,19)
InChIKeySUDYIWKGZZVTEJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.45
Rot. Bonds3

About 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid

2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid (PubChem CID 117408120) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
PubChem CID117408120
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
SMILESCC1(C)CCC(c2ccc(C(N)C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2)9-7-12(8-10-16)11-3-5-13(6-4-11)14(17)15(18)19/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,19)
InChIKeySUDYIWKGZZVTEJ-UHFFFAOYSA-N
XLogP3.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
CID 115005957
3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
CID 117447876
1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117408766
2-amino-4-(4,4-dimethylcyclohexyl)benzoic acid
CID 146486649
4-amino-3-(4-cyclopropylphenyl)pentanoic acid
CID 79978502
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid (CID 117408120) is 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid is CC1(C)CCC(c2ccc(C(N)C(=O)O)cc2)CC1.
What is the InChIKey of 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid?
The InChIKey is SUDYIWKGZZVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)9-7-12(8-10-16)11-3-5-13(6-4-11)14(17)15(18)19/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid?
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid is sourced from PubChem (CID 117408120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).