3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid

C11H22N2O2 — CID 118024741

IUPAC3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1CC(C(C)(C)C)CN(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)8-5-9(12-4)7-13(6-8)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyXKNADJQQSXZUKO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.62
Rot. Bonds1

About 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid

3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid (PubChem CID 118024741) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid
PubChem CID118024741
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid
SMILESCNC1CC(C(C)(C)C)CN(C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)8-5-9(12-4)7-13(6-8)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyXKNADJQQSXZUKO-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-N-methylazetidine-1-carboxamide
CID 164830177
(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
6-(methylamino)-1,4-oxazepane-4-carboxylic acid
CID 67518083
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid
CID 121473812
(3R,4S)-3-(dimethylamino)-4-fluoropyrrolidine-1-carboxylic acid
CID 175112596

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid?
The IUPAC name of 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid (CID 118024741) is 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid is CNC1CC(C(C)(C)C)CN(C(=O)O)C1.
What is the InChIKey of 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid?
The InChIKey is XKNADJQQSXZUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)8-5-9(12-4)7-13(6-8)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid?
3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 118024741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).