1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

C14H19NO3 — CID 22145272

IUPAC1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2CCC(N)(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-10(3-5-12)11-6-8-14(15,9-7-11)13(16)17/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyMTBXEODIGPQIDZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds3

About 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 22145272) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID22145272
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2CCC(N)(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-4-2-10(3-5-12)11-6-8-14(15,9-7-11)13(16)17/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyMTBXEODIGPQIDZ-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid
CID 82290126
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
methyl (3S)-1-amino-3-(4-bromophenyl)cyclopentane-1-carboxylate
CID 69094601
3-(4-methoxyphenoxy)carbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11645188
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 22145272) is 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1ccc(C2CCC(N)(C(=O)O)CC2)cc1.
What is the InChIKey of 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is MTBXEODIGPQIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-4-2-10(3-5-12)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-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22145272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).