3-(tert-butylamino)cyclohexane-1-carboxylic acid

C11H21NO2 — CID 59805522

IUPAC3-(tert-butylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-9-6-4-5-8(7-9)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGFZAVVSGUFZCMY-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds2

About 3-(tert-butylamino)cyclohexane-1-carboxylic acid

3-(tert-butylamino)cyclohexane-1-carboxylic acid (PubChem CID 59805522) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(tert-butylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylamino)cyclohexane-1-carboxylic acid
PubChem CID59805522
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(tert-butylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-9-6-4-5-8(7-9)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGFZAVVSGUFZCMY-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(tert-butylamino)cyclohexane-1-carboxylic acid (CID 59805522) is 3-(tert-butylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(tert-butylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(tert-butylamino)cyclohexane-1-carboxylic acid is CC(C)(C)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(tert-butylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GFZAVVSGUFZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)12-9-6-4-5-8(7-9)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-(tert-butylamino)cyclohexane-1-carboxylic acid?
3-(tert-butylamino)cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59805522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).