ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate

C22H32N2O5 — CID 165483559

IUPACditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)C1)CC2N
InChIInChI=1S/C22H32N2O5/c1-20(2,3)28-18(25)14-7-8-15-16(23)12-22(27-17(15)11-14)9-10-24(13-22)19(26)29-21(4,5)6/h7-8,11,16H,9-10,12-13,23H2,1-6H3
InChIKeyLQPOPPMJHPTBSZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds1

About ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate

ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate (PubChem CID 165483559) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
PubChem CID165483559
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nameditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)C1)CC2N
InChIInChI=1S/C22H32N2O5/c1-20(2,3)28-18(25)14-7-8-15-16(23)12-22(27-17(15)11-14)9-10-24(13-22)19(26)29-21(4,5)6/h7-8,11,16H,9-10,12-13,23H2,1-6H3
InChIKeyLQPOPPMJHPTBSZ-UHFFFAOYSA-N
XLogP3.80
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-amino-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-carboxylate
CID 72698425
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
tert-butyl (4S)-4,7-dihydroxyspiro[3,4-dihydrochromene-2,3'-azetidine]-1'-carboxylate
CID 129498949
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate
CID 129284014
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 131664474
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
CID 146225264
CID 146225264

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate?
The IUPAC name of ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate (CID 165483559) is ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate?
The canonical SMILES for ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate is CC(C)(C)OC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)C1)CC2N.
What is the InChIKey of ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate?
The InChIKey is LQPOPPMJHPTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-20(2,3)28-18(25)14-7-8-15-16(23)12-22(27-17(15)11-14)9-10-24(13-22)19(26)29-21(4,5)6/h7-8,11,16H,9-10,12-13,23H2,1-6H3.
What are the key properties of ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate?
ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate has a molecular weight of 404.51 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate is sourced from PubChem (CID 165483559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).