tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate

C27H35N3O4 — CID 71276410

IUPACtert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCC2)CC(C)(C)C4=O)C1
InChIInChI=1S/C27H35N3O4/c1-25(2,3)34-24(33)30-12-9-17(14-30)28-23(32)16-7-8-19-18(13-16)20-21(29-19)22(31)26(4,5)15-27(20)10-6-11-27/h7-8,13,17,29H,6,9-12,14-15H2,1-5H3,(H,28,32)
InChIKeyPFTXLGQGYIFZFC-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.94
Rot. Bonds2

About tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 71276410) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID71276410
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Nametert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCC2)CC(C)(C)C4=O)C1
InChIInChI=1S/C27H35N3O4/c1-25(2,3)34-24(33)30-12-9-17(14-30)28-23(32)16-7-8-19-18(13-16)20-21(29-19)22(31)26(4,5)15-27(20)10-6-11-27/h7-8,13,17,29H,6,9-12,14-15H2,1-5H3,(H,28,32)
InChIKeyPFTXLGQGYIFZFC-UHFFFAOYSA-N
XLogP4.94
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
CID 159311915
2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
CID 159958266
tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167871842
tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
CID 71629432
tert-butyl 3-[(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167883267
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 3-[(3-amino-4-propan-2-yloxybenzoyl)amino]pyrrolidine-1-carboxylate
CID 171933166
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276412
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate (CID 71276410) is tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCC2)CC(C)(C)C4=O)C1.
What is the InChIKey of tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is PFTXLGQGYIFZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-25(2,3)34-24(33)30-12-9-17(14-30)28-23(32)16-7-8-19-18(13-16)20-21(29-19)22(31)26(4,5)15-27(20)10-6-11-27/h7-8,13,17,29H,6,9-12,14-15H2,1-5H3,(H,28,32).
What are the key properties of tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 465.59 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71276410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).