butan-2-yl 4-(methylamino)oxolane-3-carboxylate

C10H19NO3 — CID 66267071

IUPACbutan-2-yl 4-(methylamino)oxolane-3-carboxylate
SMILESCCC(C)OC(=O)C1COCC1NC
InChIInChI=1S/C10H19NO3/c1-4-7(2)14-10(12)8-5-13-6-9(8)11-3/h7-9,11H,4-6H2,1-3H3
InChIKeyNOIJMBAYNMHFIO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds4

About butan-2-yl 4-(methylamino)oxolane-3-carboxylate

butan-2-yl 4-(methylamino)oxolane-3-carboxylate (PubChem CID 66267071) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butan-2-yl 4-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-(methylamino)oxolane-3-carboxylate
PubChem CID66267071
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutan-2-yl 4-(methylamino)oxolane-3-carboxylate
SMILESCCC(C)OC(=O)C1COCC1NC
InChIInChI=1S/C10H19NO3/c1-4-7(2)14-10(12)8-5-13-6-9(8)11-3/h7-9,11H,4-6H2,1-3H3
InChIKeyNOIJMBAYNMHFIO-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze butan-2-yl 4-(methylamino)oxolane-3-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 butan-2-yl 4-(methylamino)oxolane-3-carboxylate?
The IUPAC name of butan-2-yl 4-(methylamino)oxolane-3-carboxylate (CID 66267071) is butan-2-yl 4-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for butan-2-yl 4-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for butan-2-yl 4-(methylamino)oxolane-3-carboxylate is CCC(C)OC(=O)C1COCC1NC.
What is the InChIKey of butan-2-yl 4-(methylamino)oxolane-3-carboxylate?
The InChIKey is NOIJMBAYNMHFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7(2)14-10(12)8-5-13-6-9(8)11-3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of butan-2-yl 4-(methylamino)oxolane-3-carboxylate?
butan-2-yl 4-(methylamino)oxolane-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66267071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).