(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid

C11H22N2O3 — CID 174172845

IUPAC(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)CCN1CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)6-12-4-5-13(11(14)15)7-10(12)8-16-3/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyXEDPJQHQSSQYLE-SNVBAGLBSA-N
MW230.31 g/mol
LogP0.95
Rot. Bonds4

About (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid

(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid (PubChem CID 174172845) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
PubChem CID174172845
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)CCN1CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)6-12-4-5-13(11(14)15)7-10(12)8-16-3/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyXEDPJQHQSSQYLE-SNVBAGLBSA-N
XLogP0.95
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid?
The IUPAC name of (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid (CID 174172845) is (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid is COC[C@H]1CN(C(=O)O)CCN1CC(C)C.
What is the InChIKey of (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid?
The InChIKey is XEDPJQHQSSQYLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)6-12-4-5-13(11(14)15)7-10(12)8-16-3/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid?
(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174172845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).