1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C15H28N2O2 — CID 114596385

IUPAC1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(C2CCCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-10-7-11(2)12(3)17(9-10)13-5-4-6-15(16,8-13)14(18)19/h10-13H,4-9,16H2,1-3H3,(H,18,19)
InChIKeyBMTIMBZDDLWSGE-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.08
Rot. Bonds2

About 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 114596385) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID114596385
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(C2CCCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O2/c1-10-7-11(2)12(3)17(9-10)13-5-4-6-15(16,8-13)14(18)19/h10-13H,4-9,16H2,1-3H3,(H,18,19)
InChIKeyBMTIMBZDDLWSGE-UHFFFAOYSA-N
XLogP2.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79636119
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxylic acid
CID 79641590
1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 79654790
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066
2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 114594006
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 114596385) is 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CC(C)C(C)N(C2CCCC(N)(C(=O)O)C2)C1.
What is the InChIKey of 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BMTIMBZDDLWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10-7-11(2)12(3)17(9-10)13-5-4-6-15(16,8-13)14(18)19/h10-13H,4-9,16H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114596385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).