1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid

C17H20N2O5 — CID 175593901

IUPAC1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid
SMILESCN1CC2(CC2=O)c2cc(C(=O)O)c(NC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)18-11-6-12-10(5-9(11)14(21)22)17(7-13(17)20)8-19(12)4/h5-6H,7-8H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyDWCOTYLTZIBYHT-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid

1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid (PubChem CID 175593901) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid
PubChem CID175593901
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid
SMILESCN1CC2(CC2=O)c2cc(C(=O)O)c(NC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)18-11-6-12-10(5-9(11)14(21)22)17(7-13(17)20)8-19(12)4/h5-6H,7-8H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyDWCOTYLTZIBYHT-UHFFFAOYSA-N
XLogP2.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
2-(2,5-dioxopyrrol-1-yl)-4-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 121364706
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012
2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 127019234
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-nitrobenzoic acid
CID 18405577
tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
CID 178070380
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
2-fluoro-5-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 171463811
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
CID 156537612

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid (CID 175593901) is 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid is CN1CC2(CC2=O)c2cc(C(=O)O)c(NC(=O)OC(C)(C)C)cc21.
What is the InChIKey of 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is DWCOTYLTZIBYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-16(2,3)24-15(23)18-11-6-12-10(5-9(11)14(21)22)17(7-13(17)20)8-19(12)4/h5-6H,7-8H2,1-4H3,(H,18,23)(H,21,22).
What are the key properties of 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid?
1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2'-oxospiro[2H-indole-3,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 175593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).