2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate

C11H22N2O2 — CID 79994442

IUPAC2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-9(3)4-10(12)6-13/h8-10H,4-7,12H2,1-3H3
InChIKeyJHQPCXVYAVJQIZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.45
Rot. Bonds2

About 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate

2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate (PubChem CID 79994442) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
PubChem CID79994442
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-9(3)4-10(12)6-13/h8-10H,4-7,12H2,1-3H3
InChIKeyJHQPCXVYAVJQIZ-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride
CID 67386202
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
CID 68806208
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate (CID 79994442) is 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate is CC(C)COC(=O)N1CC(C)CC(N)C1.
What is the InChIKey of 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate?
The InChIKey is JHQPCXVYAVJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)7-15-11(14)13-5-9(3)4-10(12)6-13/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate?
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79994442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).