tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate

C17H23N3O3 — CID 167078747

IUPACtert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(CNc3ccccc32)C[C@H]1C(N)=O
InChIInChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-10-17(8-13(20)14(18)21)9-19-12-7-5-4-6-11(12)17/h4-7,13,19H,8-10H2,1-3H3,(H2,18,21)/t13-,17-/m0/s1
InChIKeyNFRWCLSLLXCJST-GUYCJALGSA-N
MW317.39 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate

tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate (PubChem CID 167078747) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
PubChem CID167078747
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(CNc3ccccc32)C[C@H]1C(N)=O
InChIInChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-10-17(8-13(20)14(18)21)9-19-12-7-5-4-6-11(12)17/h4-7,13,19H,8-10H2,1-3H3,(H2,18,21)/t13-,17-/m0/s1
InChIKeyNFRWCLSLLXCJST-GUYCJALGSA-N
XLogP1.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 168792888
tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
CID 175903341
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
tert-butyl (2'S,3R)-2'-carbamoyl-2-oxospiro[1H-imidazo[1,2-b]indazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733314
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
tert-butyl (2'S,3R)-2'-carbamoyl-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-1'-carboxylate
CID 171733539
tert-butyl (2R,2'S)-2'-carbamoyl-6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-1'-carboxylate
CID 171550103
tert-butyl 4-iodospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxylate
CID 169434669
(2'S,3R)-4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-quinoxaline-3,4'-pyrrolidine]-2'-carboxylic acid
CID 171733457
ditert-butyl 3-carbamoyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene-7,8-dicarboxylate
CID 123844401
4-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid
CID 174241690

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate (CID 167078747) is tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1C[C@@]2(CNc3ccccc32)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate?
The InChIKey is NFRWCLSLLXCJST-GUYCJALGSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-10-17(8-13(20)14(18)21)9-19-12-7-5-4-6-11(12)17/h4-7,13,19H,8-10H2,1-3H3,(H2,18,21)/t13-,17-/m0/s1.
What are the key properties of tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate?
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 167078747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).