1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid

C16H19NO4 — CID 121383681

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CC2)c2cccc(C(=O)O)c21
InChIInChI=1S/C16H19NO4/c1-15(2,3)21-14(20)17-9-16(7-8-16)11-6-4-5-10(12(11)17)13(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyNUKLRJXAMCVORY-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.17
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid (PubChem CID 121383681) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
PubChem CID121383681
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC2(CC2)c2cccc(C(=O)O)c21
InChIInChI=1S/C16H19NO4/c1-15(2,3)21-14(20)17-9-16(7-8-16)11-6-4-5-10(12(11)17)13(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyNUKLRJXAMCVORY-UHFFFAOYSA-N
XLogP3.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid with MolForge

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Related Compounds

tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
tert-butyl 7-cyano-3,3-dimethyl-2H-indole-1-carboxylate
CID 130269109
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 8-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83904337
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
CID 82372106
tert-butyl 5-acetyl-4-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 117046442
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 57415656
1-O-tert-butyl 5-O-(chloromethyl) 3,4-dihydro-2H-quinoline-1,5-dicarboxylate
CID 165439271
tert-butyl 6-aminospiro[2H-indole-3,4'-oxane]-1-carboxylate
CID 156632833
tert-butyl 3-hydroxy-3-(2-methylphenyl)-2-oxopyrrolidine-1-carboxylate
CID 142697827

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid (CID 121383681) is 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid is CC(C)(C)OC(=O)N1CC2(CC2)c2cccc(C(=O)O)c21.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is NUKLRJXAMCVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-15(2,3)21-14(20)17-9-16(7-8-16)11-6-4-5-10(12(11)17)13(18)19/h4-6H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 121383681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).