2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid

C17H17NO2 — CID 60992148

IUPAC2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(18-12-13-6-2-1-3-7-13)10-14-8-4-5-9-15(14)11-17/h1-9,18H,10-12H2,(H,19,20)
InChIKeyYCOWAMHYMWEYEP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.40
Rot. Bonds4

About 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid

2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 60992148) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID60992148
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C17H17NO2/c19-16(20)17(18-12-13-6-2-1-3-7-13)10-14-8-4-5-9-15(14)11-17/h1-9,18H,10-12H2,(H,19,20)
InChIKeyYCOWAMHYMWEYEP-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
2-[(2-methylsulfonylphenyl)methylamino]-1,3-dihydroindene-2-carboxylic acid
CID 141221672
3-(benzylamino)-1,1-dioxothiolane-3-carboxylic acid
CID 63165985
1-(benzylamino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752274
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
3-(benzylamino)-5-methylthiolane-3-carboxylic acid
CID 79950599
N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
CID 110747314
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid (CID 60992148) is 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(NCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YCOWAMHYMWEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)17(18-12-13-6-2-1-3-7-13)10-14-8-4-5-9-15(14)11-17/h1-9,18H,10-12H2,(H,19,20).
What are the key properties of 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 60992148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).