(3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride

C36H34Cl4N2O6 — CID 159466205

About (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride

(3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride (PubChem CID 159466205) has the molecular formula C36H34Cl4N2O6 and a molecular weight of 732.49 g/mol. Its IUPAC name is (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride.

Molecular Properties

• Compound Name: (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride
• PubChem CID: 159466205
• Molecular Formula: C36H34Cl4N2O6
• Molecular Weight: 732.49 g/mol
• Exact Mass: 730.12
• IUPAC Name: (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride
• SMILES: Cc1cc2c(cc1C(=O)O)[C@H](N)CC2.Cc1cc2c(cc1C(=O)O)[C@H](NC(=O)c1ccccc1Cl)CC2.Cl.O=C(Cl)c1ccccc1Cl
• InChI: InChI=1S/C18H16ClNO3.C11H13NO2.C7H4Cl2O.ClH/c1-10-8-11-6-7-16(14(11)9-13(10)18(22)23)20-17(21)12-4-2-3-5-15(12)19;1-6-4-7-2-3-10(12)9(7)5-8(6)11(13)14;8-6-4-2-1-3-5(6)7(9)10;/h2-5,8-9,16H,6-7H2,1H3,(H,20,21)(H,22,23);4-5,10H,2-3,12H2,1H3,(H,13,14);1-4H;1H/t16-;10-;;/m11../s1
• InChIKey: BSPHKZAUNNOZMP-LERWACRDSA-N
• XLogP: 8.54
• TPSA: 146.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.49
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride?

The IUPAC name of (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride (CID 159466205) is (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride.

What is the SMILES notation for (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride?

The canonical SMILES for (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride is Cc1cc2c(cc1C(=O)O)[C@H](N)CC2.Cc1cc2c(cc1C(=O)O)[C@H](NC(=O)c1ccccc1Cl)CC2.Cl.O=C(Cl)c1ccccc1Cl.

What is the InChIKey of (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride?

The InChIKey is BSPHKZAUNNOZMP-LERWACRDSA-N. The full InChI is InChI=1S/C18H16ClNO3.C11H13NO2.C7H4Cl2O.ClH/c1-10-8-11-6-7-16(14(11)9-13(10)18(22)23)20-17(21)12-4-2-3-5-15(12)19;1-6-4-7-2-3-10(12)9(7)5-8(6)11(13)14;8-6-4-2-1-3-5(6)7(9)10;/h2-5,8-9,16H,6-7H2,1H3,(H,20,21)(H,22,23);4-5,10H,2-3,12H2,1H3,(H,13,14);1-4H;1H/t16-;10-;;/m11../s1.

What are the key properties of (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride?

(3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride has a molecular weight of 732.49 g/mol, XLogP of 8.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(3R)-3-[(2-chlorobenzoyl)amino]-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydrochloride is sourced from PubChem (CID 159466205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).