propan-2-yl 2-morpholin-4-ylacetate

C9H17NO3 — CID 53264241

IUPACpropan-2-yl 2-morpholin-4-ylacetate
SMILESCC(C)OC(=O)CN1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(2)13-9(11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyGQWWHLUNKDBIGM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds3

About propan-2-yl 2-morpholin-4-ylacetate

propan-2-yl 2-morpholin-4-ylacetate (PubChem CID 53264241) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propan-2-yl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-morpholin-4-ylacetate
PubChem CID53264241
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropan-2-yl 2-morpholin-4-ylacetate
SMILESCC(C)OC(=O)CN1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(2)13-9(11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyGQWWHLUNKDBIGM-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-morpholin-4-ylacetate 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 propan-2-yl 2-morpholin-4-ylacetate?
The IUPAC name of propan-2-yl 2-morpholin-4-ylacetate (CID 53264241) is propan-2-yl 2-morpholin-4-ylacetate.
What is the SMILES notation for propan-2-yl 2-morpholin-4-ylacetate?
The canonical SMILES for propan-2-yl 2-morpholin-4-ylacetate is CC(C)OC(=O)CN1CCOCC1.
What is the InChIKey of propan-2-yl 2-morpholin-4-ylacetate?
The InChIKey is GQWWHLUNKDBIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2)13-9(11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-morpholin-4-ylacetate?
propan-2-yl 2-morpholin-4-ylacetate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-morpholin-4-ylacetate is sourced from PubChem (CID 53264241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).