2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid

C17H21NO4 — CID 122463510

IUPAC2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC12CCc1cc(C(=O)O)ccc12
InChIInChI=1S/C17H21NO4/c1-16(2,3)22-15(21)18-13-9-17(13)7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRUXBSLXHVFBGBD-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.87
Rot. Bonds2

About 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid

2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid (PubChem CID 122463510) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid
PubChem CID122463510
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC12CCc1cc(C(=O)O)ccc12
InChIInChI=1S/C17H21NO4/c1-16(2,3)22-15(21)18-13-9-17(13)7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRUXBSLXHVFBGBD-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
2'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-carboxylic acid
CID 159517338
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxylic acid
CID 91361092
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 138657322
tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 177368501
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
CID 140937019

Frequently Asked Questions

What is the IUPAC name of 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid (CID 122463510) is 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid is CC(C)(C)OC(=O)NC1CC12CCc1cc(C(=O)O)ccc12.
What is the InChIKey of 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is RUXBSLXHVFBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-16(2,3)22-15(21)18-13-9-17(13)7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid?
2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 122463510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).