7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

C15H19NO4 — CID 167730179

IUPAC7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cccc2c1N(C(=O)OC(C)(C)C)CC2C(=O)O
InChIInChI=1S/C15H19NO4/c1-9-6-5-7-10-11(13(17)18)8-16(12(9)10)14(19)20-15(2,3)4/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyYRGRIKPKBFLTSJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.92
Rot. Bonds1

About 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 167730179) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID167730179
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cccc2c1N(C(=O)OC(C)(C)C)CC2C(=O)O
InChIInChI=1S/C15H19NO4/c1-9-6-5-7-10-11(13(17)18)8-16(12(9)10)14(19)20-15(2,3)4/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyYRGRIKPKBFLTSJ-UHFFFAOYSA-N
XLogP2.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 96968919
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 7145897
(4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 71164310
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 58248370
(2S,3S)-2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51695333
tert-butyl 6-fluoro-1,2,3,3a,4,9b-hexahydrocyclopenta[c]quinoline-5-carboxylate
CID 141022129
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83763781
tert-butyl 1,5-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 149428557
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
CID 155394671
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 167730179) is 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2C(=O)O.
What is the InChIKey of 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is YRGRIKPKBFLTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-6-5-7-10-11(13(17)18)8-16(12(9)10)14(19)20-15(2,3)4/h5-7,11H,8H2,1-4H3,(H,17,18).
What are the key properties of 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 167730179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).