tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H31NO7 — CID 139090816

IUPACtert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO7/c1-9-22-14(20)13-12(24-18(7,8)25-13)11-10-23-17(5,6)19(11)15(21)26-16(2,3)4/h11-13H,9-10H2,1-8H3/t11-,12-,13+/m1/s1
InChIKeyFOQVEMRKZDHXOT-UPJWGTAASA-N
MW373.45 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 139090816) has the molecular formula C18H31NO7 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID139090816
Molecular FormulaC18H31NO7
Molecular Weight373.45 g/mol
Exact Mass373.21
IUPAC Nametert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31NO7/c1-9-22-14(20)13-12(24-18(7,8)25-13)11-10-23-17(5,6)19(11)15(21)26-16(2,3)4/h11-13H,9-10H2,1-8H3/t11-,12-,13+/m1/s1
InChIKeyFOQVEMRKZDHXOT-UPJWGTAASA-N
XLogP2.44
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-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 (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 139090816) is tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FOQVEMRKZDHXOT-UPJWGTAASA-N. The full InChI is InChI=1S/C18H31NO7/c1-9-22-14(20)13-12(24-18(7,8)25-13)11-10-23-17(5,6)19(11)15(21)26-16(2,3)4/h11-13H,9-10H2,1-8H3/t11-,12-,13+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(4R,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139090816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).