tert-butyl 4-(propylamino)oxolane-3-carboxylate

C12H23NO3 — CID 66253079

IUPACtert-butyl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-6-13-10-8-15-7-9(10)11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKFKDTXSEUBEXHD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds4

About tert-butyl 4-(propylamino)oxolane-3-carboxylate

tert-butyl 4-(propylamino)oxolane-3-carboxylate (PubChem CID 66253079) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 4-(propylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(propylamino)oxolane-3-carboxylate
PubChem CID66253079
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-6-13-10-8-15-7-9(10)11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKFKDTXSEUBEXHD-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(propylamino)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 tert-butyl 4-(propylamino)oxolane-3-carboxylate?
The IUPAC name of tert-butyl 4-(propylamino)oxolane-3-carboxylate (CID 66253079) is tert-butyl 4-(propylamino)oxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(propylamino)oxolane-3-carboxylate?
The canonical SMILES for tert-butyl 4-(propylamino)oxolane-3-carboxylate is CCCNC1COCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(propylamino)oxolane-3-carboxylate?
The InChIKey is KFKDTXSEUBEXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-13-10-8-15-7-9(10)11(14)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(propylamino)oxolane-3-carboxylate?
tert-butyl 4-(propylamino)oxolane-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(propylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66253079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).