propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate

C11H21NO4 — CID 104760743

IUPACpropan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
SMILESCOC1(CNCC(=O)OC(C)C)CCOC1
InChIInChI=1S/C11H21NO4/c1-9(2)16-10(13)6-12-7-11(14-3)4-5-15-8-11/h9,12H,4-8H2,1-3H3
InChIKeySWVDAQZATFARIA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds6

About propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate

propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate (PubChem CID 104760743) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
PubChem CID104760743
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepropan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
SMILESCOC1(CNCC(=O)OC(C)C)CCOC1
InChIInChI=1S/C11H21NO4/c1-9(2)16-10(13)6-12-7-11(14-3)4-5-15-8-11/h9,12H,4-8H2,1-3H3
InChIKeySWVDAQZATFARIA-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate 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-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The IUPAC name of propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate (CID 104760743) is propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate is COC1(CNCC(=O)OC(C)C)CCOC1.
What is the InChIKey of propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
The InChIKey is SWVDAQZATFARIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)16-10(13)6-12-7-11(14-3)4-5-15-8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate?
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate is sourced from PubChem (CID 104760743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).