1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid

C17H15NO3 — CID 174615307

IUPAC1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid
SMILESNC1c2ccccc2CC1(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c18-14-13-9-5-4-8-12(13)10-17(14,16(20)21)15(19)11-6-2-1-3-7-11/h1-9,14H,10,18H2,(H,20,21)
InChIKeyGXQMDRFSMWZZNR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid

1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 174615307) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID174615307
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid
SMILESNC1c2ccccc2CC1(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c18-14-13-9-5-4-8-12(13)10-17(14,16(20)21)15(19)11-6-2-1-3-7-11/h1-9,14H,10,18H2,(H,20,21)
InChIKeyGXQMDRFSMWZZNR-UHFFFAOYSA-N
XLogP2.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroindene-2-carboxylic acid
CID 118703190
1-propyl-1,3-dihydroindene-2,2-dicarboxylic acid
CID 14381305
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
CID 139524434
1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
CID 21433564
(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512047
(1,4-diaminocyclohexyl)-phenylmethanone
CID 141353402
2,2-dipropyl-1,3-dihydroinden-1-amine
CID 156711835
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine
CID 167047908
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid (CID 174615307) is 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid is NC1c2ccccc2CC1(C(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is GXQMDRFSMWZZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c18-14-13-9-5-4-8-12(13)10-17(14,16(20)21)15(19)11-6-2-1-3-7-11/h1-9,14H,10,18H2,(H,20,21).
What are the key properties of 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid?
1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 174615307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).