1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid

C15H19NO4 — CID 118703190

IUPAC1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C(=O)O)Cc2ccccc2C1N
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)15(12(17)18)8-9-6-4-5-7-10(9)11(15)16/h4-7,11H,8,16H2,1-3H3,(H,17,18)
InChIKeyIWSIUXPZYYUEON-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds2

About 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid

1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 118703190) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID118703190
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C(=O)O)Cc2ccccc2C1N
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)15(12(17)18)8-9-6-4-5-7-10(9)11(15)16/h4-7,11H,8,16H2,1-3H3,(H,17,18)
InChIKeyIWSIUXPZYYUEON-UHFFFAOYSA-N
XLogP1.66
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid
CID 174615307
(1R,2S)-1-amino-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 124671777
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354
1-propyl-1,3-dihydroindene-2,2-dicarboxylic acid
CID 14381305
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
trans-ditert-butyl (2S,6S)-4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 102122342
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 54758925
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxocyclohexane-1-carboxylic acid
CID 71432923
trans-(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxocyclohexane-1-carboxylic acid
CID 97170784
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
CID 139524434
tert-butyl (2S)-2-hydroxy-3-oxo-1H-indene-2-carboxylate
CID 15965724

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid (CID 118703190) is 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid is CC(C)(C)OC(=O)C1(C(=O)O)Cc2ccccc2C1N.
What is the InChIKey of 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is IWSIUXPZYYUEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)15(12(17)18)8-9-6-4-5-7-10(9)11(15)16/h4-7,11H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid?
1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 118703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).