methyl 2-ethyl-1,3-oxazolidine-4-carboxylate

C7H13NO3 — CID 143887218

IUPACmethyl 2-ethyl-1,3-oxazolidine-4-carboxylate
SMILESCCC1NC(C(=O)OC)CO1
InChIInChI=1S/C7H13NO3/c1-3-6-8-5(4-11-6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyIWJHKUOVGXMTHW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.12
Rot. Bonds2

About methyl 2-ethyl-1,3-oxazolidine-4-carboxylate

methyl 2-ethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 143887218) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-ethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-1,3-oxazolidine-4-carboxylate
PubChem CID143887218
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-ethyl-1,3-oxazolidine-4-carboxylate
SMILESCCC1NC(C(=O)OC)CO1
InChIInChI=1S/C7H13NO3/c1-3-6-8-5(4-11-6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyIWJHKUOVGXMTHW-UHFFFAOYSA-N
XLogP-0.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-1,3-oxazolidine-4-carboxylate 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 methyl 2-ethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-ethyl-1,3-oxazolidine-4-carboxylate (CID 143887218) is methyl 2-ethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-1,3-oxazolidine-4-carboxylate is CCC1NC(C(=O)OC)CO1.
What is the InChIKey of methyl 2-ethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is IWJHKUOVGXMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-6-8-5(4-11-6)7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 2-ethyl-1,3-oxazolidine-4-carboxylate?
methyl 2-ethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 143887218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).