1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid

C17H20N2O5 — CID 71305423

IUPAC1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)C2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)19-8-11(13(20)21)17(9-19)10-6-4-5-7-12(10)18-14(17)22/h4-7,11H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyQLRMTNDTOAFSSX-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.83
Rot. Bonds1

About 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid

1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid (PubChem CID 71305423) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid.

Molecular Properties

Compound Name1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
PubChem CID71305423
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)C2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)19-8-11(13(20)21)17(9-19)10-6-4-5-7-12(10)18-14(17)22/h4-7,11H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyQLRMTNDTOAFSSX-UHFFFAOYSA-N
XLogP1.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid with MolForge

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Related Compounds

tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane
CID 91371227
(3S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 97290598
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
tert-butyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 122220537
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
(3S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 97357568
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 76845342
(2'S,3S)-2'-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 123634212
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
(2'S,3R)-4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-quinoxaline-3,4'-pyrrolidine]-2'-carboxylic acid
CID 171733457
(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-prop-2-enoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170756263

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid?
The IUPAC name of 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid (CID 71305423) is 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid.
What is the SMILES notation for 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid?
The canonical SMILES for 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)C2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid?
The InChIKey is QLRMTNDTOAFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)19-8-11(13(20)21)17(9-19)10-6-4-5-7-12(10)18-14(17)22/h4-7,11H,8-9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid?
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid is sourced from PubChem (CID 71305423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).