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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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).