methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate

C53H60F6N4O11 — CID 158205642

About methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 158205642) has the molecular formula C53H60F6N4O11 and a molecular weight of 1043.07 g/mol. Its IUPAC name is methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

• Compound Name: methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate
• PubChem CID: 158205642
• Molecular Formula: C53H60F6N4O11
• Molecular Weight: 1043.07 g/mol
• Exact Mass: 1042.42
• IUPAC Name: methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)[C@H](N)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)[C@H](NCC(F)(F)F)CC2
• InChI: InChI=1S/C16H21NO4.C13H12F3NO3.C13H14F3NO2.C11H13NO2/c1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-20-11(18)8-3-2-7-4-5-10(9(7)6-8)17-12(19)13(14,15)16;1-19-12(18)9-3-2-8-4-5-11(10(8)6-9)17-7-13(14,15)16;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h5-6,9,13H,7-8H2,1-4H3,(H,17,19);2-3,6,10H,4-5H2,1H3,(H,17,19);2-3,6,11,17H,4-5,7H2,1H3;2-3,6,10H,4-5,12H2,1H3/t13-;10-;11-;10-/m1111/s1
• InChIKey: GBLRWAARLBZYMC-HOGUGDEJSA-N
• XLogP: 9.16
• TPSA: 210.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.07
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate?

The IUPAC name of methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 158205642) is methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate.

What is the SMILES notation for methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate?

The canonical SMILES for methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](N)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)[C@H](NCC(F)(F)F)CC2.

What is the InChIKey of methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate?

The InChIKey is GBLRWAARLBZYMC-HOGUGDEJSA-N. The full InChI is InChI=1S/C16H21NO4.C13H12F3NO3.C13H14F3NO2.C11H13NO2/c1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-20-11(18)8-3-2-7-4-5-10(9(7)6-8)17-12(19)13(14,15)16;1-19-12(18)9-3-2-8-4-5-11(10(8)6-9)17-7-13(14,15)16;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h5-6,9,13H,7-8H2,1-4H3,(H,17,19);2-3,6,10H,4-5H2,1H3,(H,17,19);2-3,6,11,17H,4-5,7H2,1H3;2-3,6,10H,4-5,12H2,1H3/t13-;10-;11-;10-/m1111/s1.

What are the key properties of methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate?

methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 1043.07 g/mol, XLogP of 9.16, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 158205642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).