(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate

C11H22N2O2 — CID 61284754

IUPAC(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)15-9-4-6-13(3)7-5-9/h8-10H,4-7,12H2,1-3H3
InChIKeySMJLPUDLNZIJOB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate

(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate (PubChem CID 61284754) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate
PubChem CID61284754
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)15-9-4-6-13(3)7-5-9/h8-10H,4-7,12H2,1-3H3
InChIKeySMJLPUDLNZIJOB-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate (CID 61284754) is (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate?
The InChIKey is SMJLPUDLNZIJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)15-9-4-6-13(3)7-5-9/h8-10H,4-7,12H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate?
(1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-amino-3-methylbutanoate is sourced from PubChem (CID 61284754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).