3-amino-3-methylcyclohexane-1-carboxylic acid

C8H15NO2 — CID 76540994

IUPAC3-amino-3-methylcyclohexane-1-carboxylic acid
SMILESCC1(N)CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-8(9)4-2-3-6(5-8)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyWFXOUUNFIKSWHO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds1

About 3-amino-3-methylcyclohexane-1-carboxylic acid

3-amino-3-methylcyclohexane-1-carboxylic acid (PubChem CID 76540994) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-3-methylcyclohexane-1-carboxylic acid
PubChem CID76540994
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-3-methylcyclohexane-1-carboxylic acid
SMILESCC1(N)CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-8(9)4-2-3-6(5-8)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyWFXOUUNFIKSWHO-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
CID 23238239
1-azaspiro[2.5]octane-5-carboxylic acid
CID 89350897
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
2,2-dimethylazepane-4-carboxylic acid
CID 146013818
hexanediamide;1-methylcyclohexane-1,3-diamine
CID 118657914
(1R,3S,4S)-3-amino-4-tert-butyl-3-methylcyclohexane-1-carboxylic acid
CID 101110280
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
cyclopentanecarboxylic acid
CID 18840
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-amino-3-methylcyclohexane-1-carboxylic acid (CID 76540994) is 3-amino-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-amino-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-amino-3-methylcyclohexane-1-carboxylic acid is CC1(N)CCCC(C(=O)O)C1.
What is the InChIKey of 3-amino-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is WFXOUUNFIKSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(9)4-2-3-6(5-8)7(10)11/h6H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-3-methylcyclohexane-1-carboxylic acid?
3-amino-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 76540994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).