tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate

C19H22FN3O6 — CID 146633945

IUPACtert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
SMILESCNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H22FN3O6/c1-18(2,3)28-13(24)9-23-15(25)19(29-17(23)27)8-7-10-11(19)5-6-12(14(10)20)22-16(26)21-4/h5-6H,7-9H2,1-4H3,(H2,21,22,26)/t19-/m1/s1
InChIKeyKPVNDMBBLCVRNT-LJQANCHMSA-N
MW407.40 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate

tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate (PubChem CID 146633945) has the molecular formula C19H22FN3O6 and a molecular weight of 407.40 g/mol. Its IUPAC name is tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
PubChem CID146633945
Molecular FormulaC19H22FN3O6
Molecular Weight407.40 g/mol
Exact Mass407.15
IUPAC Nametert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
SMILESCNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H22FN3O6/c1-18(2,3)28-13(24)9-23-15(25)19(29-17(23)27)8-7-10-11(19)5-6-12(14(10)20)22-16(26)21-4/h5-6H,7-9H2,1-4H3,(H2,21,22,26)/t19-/m1/s1
InChIKeyKPVNDMBBLCVRNT-LJQANCHMSA-N
XLogP2.04
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]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 tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?
The IUPAC name of tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate (CID 146633945) is tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate is CNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?
The InChIKey is KPVNDMBBLCVRNT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FN3O6/c1-18(2,3)28-13(24)9-23-15(25)19(29-17(23)27)8-7-10-11(19)5-6-12(14(10)20)22-16(26)21-4/h5-6H,7-9H2,1-4H3,(H2,21,22,26)/t19-/m1/s1.
What are the key properties of tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?
tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate has a molecular weight of 407.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate is sourced from PubChem (CID 146633945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).