(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile

C11H18N2O2 — CID 164642267

IUPAC(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
SMILESCCOC1CN(C(=O)[C@@](C)(C#N)CC)C1
InChIInChI=1S/C11H18N2O2/c1-4-11(3,8-12)10(14)13-6-9(7-13)15-5-2/h9H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyUTHPOVCFFPCJFX-LLVKDONJSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile

(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile (PubChem CID 164642267) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
PubChem CID164642267
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
SMILESCCOC1CN(C(=O)[C@@](C)(C#N)CC)C1
InChIInChI=1S/C11H18N2O2/c1-4-11(3,8-12)10(14)13-6-9(7-13)15-5-2/h9H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyUTHPOVCFFPCJFX-LLVKDONJSA-N
XLogP1.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile?
The IUPAC name of (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile (CID 164642267) is (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile.
What is the SMILES notation for (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile?
The canonical SMILES for (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile is CCOC1CN(C(=O)[C@@](C)(C#N)CC)C1.
What is the InChIKey of (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile?
The InChIKey is UTHPOVCFFPCJFX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(3,8-12)10(14)13-6-9(7-13)15-5-2/h9H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile?
(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile has a molecular weight of 210.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile is sourced from PubChem (CID 164642267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).