1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid

C14H19NO2 — CID 82290126

IUPAC1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-12(10)11-6-8-14(15,9-7-11)13(16)17/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyMNGAFXGMTUQYLD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds2

About 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid

1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 82290126) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID82290126
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-12(10)11-6-8-14(15,9-7-11)13(16)17/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyMNGAFXGMTUQYLD-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
1-cyclopentyl-2-methylbenzene;isocyanic acid
CID 88641039
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid
CID 117484269
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248
1-amino-4,4-diphenylcyclohexane-1-carboxylic acid;1-methyl-4,4-diphenylcyclohexane-1-carboxylic acid
CID 158239833
1-carbamoyl-3-hydroxy-4-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 70021172
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid (CID 82290126) is 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccccc1C1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is MNGAFXGMTUQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-2-3-5-12(10)11-6-8-14(15,9-7-11)13(16)17/h2-5,11H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid?
1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82290126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).