tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate

C23H30F2N2O6 — CID 25010286

IUPACtert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(27)13-30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11,16,20H,4-5,8-10,12-14H2,1-3H3/t16-,23?/m0/s1
InChIKeySRRQBHBQSJPBSF-GZWBLTSWSA-N
MW468.50 g/mol
LogP4.35
Rot. Bonds6

About tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate (PubChem CID 25010286) has the molecular formula C23H30F2N2O6 and a molecular weight of 468.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate
PubChem CID25010286
Molecular FormulaC23H30F2N2O6
Molecular Weight468.50 g/mol
Exact Mass468.21
IUPAC Nametert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(27)13-30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11,16,20H,4-5,8-10,12-14H2,1-3H3/t16-,23?/m0/s1
InChIKeySRRQBHBQSJPBSF-GZWBLTSWSA-N
XLogP4.35
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 25012754
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
CID 66842306
1-[(2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 90970872
2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
CID 25008564
tert-butyl (2S)-2-[(4-amino-2-fluorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 59204984
4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]benzene-1,3-dicarboxylic acid
CID 69334242
tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
CID 91517612
tert-butyl (2S)-2-[[4-[3-[3-(difluoromethoxy)-4-fluorophenyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 170762423
tert-butyl 2-[[4-(4-phenylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001108
2-cyclopentyloxy-4-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
CID 135869570
3-(4-butoxy-3-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11631842
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate (CID 25010286) is tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F.
What is the InChIKey of tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate?
The InChIKey is SRRQBHBQSJPBSF-GZWBLTSWSA-N. The full InChI is InChI=1S/C23H30F2N2O6/c1-22(2,3)32-21(28)27-9-4-5-16(27)13-30-19-11-15(6-7-18(19)31-20(24)25)17-12-23(33-26-17)8-10-29-14-23/h6-7,11,16,20H,4-5,8-10,12-14H2,1-3H3/t16-,23?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate has a molecular weight of 468.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 25010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).