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

C12H23NO2 — CID 82236337

IUPAC1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(C)(C)C)(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-12(8-9,10(14)15)13-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyYSTUTJKAPWXMBG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds2

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

1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 82236337) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
PubChem CID82236337
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(C)(C)C)(C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-9-6-5-7-12(8-9,10(14)15)13-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyYSTUTJKAPWXMBG-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 55121392
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
1-[(1-amino-1-oxopropan-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988539
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194
3-methyl-1-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63227547

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid (CID 82236337) is 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(C)(C)C)(C(=O)O)C1.
What is the InChIKey of 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is YSTUTJKAPWXMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-5-7-12(8-9,10(14)15)13-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid?
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82236337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).