(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid

C11H17NO3 — CID 146599289

IUPAC(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid
SMILESC#C[C@]1(C(C)(C)C)CN(C(=O)O)CCO1
InChIInChI=1S/C11H17NO3/c1-5-11(10(2,3)4)8-12(9(13)14)6-7-15-11/h1H,6-8H2,2-4H3,(H,13,14)/t11-/m1/s1
InChIKeyBSCIBDOLCHGVHG-LLVKDONJSA-N
MW211.26 g/mol
LogP1.41
Rot. Bonds

About (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid

(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid (PubChem CID 146599289) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid
PubChem CID146599289
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid
SMILESC#C[C@]1(C(C)(C)C)CN(C(=O)O)CCO1
InChIInChI=1S/C11H17NO3/c1-5-11(10(2,3)4)8-12(9(13)14)6-7-15-11/h1H,6-8H2,2-4H3,(H,13,14)/t11-/m1/s1
InChIKeyBSCIBDOLCHGVHG-LLVKDONJSA-N
XLogP1.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid?
The IUPAC name of (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid (CID 146599289) is (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid?
The canonical SMILES for (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid is C#C[C@]1(C(C)(C)C)CN(C(=O)O)CCO1.
What is the InChIKey of (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid?
The InChIKey is BSCIBDOLCHGVHG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-11(10(2,3)4)8-12(9(13)14)6-7-15-11/h1H,6-8H2,2-4H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid?
(2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-2-ethynylmorpholine-4-carboxylic acid is sourced from PubChem (CID 146599289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).