(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid

C23H26N2O6 — CID 91278543

IUPAC(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCCC1Cc2ccccc2C1(N)C(=O)O.N[C@@]1(C(=O)O)C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C12H15NO2.C11H11NO4/c1-2-9-7-8-5-3-4-6-10(8)12(9,13)11(14)15;12-11(10(15)16)5-7(9(13)14)6-3-1-2-4-8(6)11/h3-6,9H,2,7,13H2,1H3,(H,14,15);1-4,7H,5,12H2,(H,13,14)(H,15,16)/t;7-,11-/m.0/s1
InChIKeyJENFYNNHANDSJS-WPIPVQPVSA-N
MW426.47 g/mol
LogP2.00
Rot. Bonds4

About (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid

(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 91278543) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID91278543
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid
SMILESCCC1Cc2ccccc2C1(N)C(=O)O.N[C@@]1(C(=O)O)C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C12H15NO2.C11H11NO4/c1-2-9-7-8-5-3-4-6-10(8)12(9,13)11(14)15;12-11(10(15)16)5-7(9(13)14)6-3-1-2-4-8(6)11/h3-6,9H,2,7,13H2,1H3,(H,14,15);1-4,7H,5,12H2,(H,13,14)(H,15,16)/t;7-,11-/m.0/s1
InChIKeyJENFYNNHANDSJS-WPIPVQPVSA-N
XLogP2.00
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70071453
dimethyl (1R,3R)-3-amino-1,2-dihydroindene-1,3-dicarboxylate
CID 11086141
3,3-difluoro-1,2-dihydroindene-1-carboxylic acid
CID 83853596
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
2-(1-amino-2-ethylcyclopropyl)phenol
CID 84656088
(1S,2R)-1-amino-2-hydroxy-2,3-dihydroindene-1-carboxamide
CID 22862755
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 67149549
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
CID 14271439
2-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260619

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid (CID 91278543) is (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid is CCC1Cc2ccccc2C1(N)C(=O)O.N[C@@]1(C(=O)O)C[C@H](C(=O)O)c2ccccc21.
What is the InChIKey of (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is JENFYNNHANDSJS-WPIPVQPVSA-N. The full InChI is InChI=1S/C12H15NO2.C11H11NO4/c1-2-9-7-8-5-3-4-6-10(8)12(9,13)11(14)15;12-11(10(15)16)5-7(9(13)14)6-3-1-2-4-8(6)11/h3-6,9H,2,7,13H2,1H3,(H,14,15);1-4,7H,5,12H2,(H,13,14)(H,15,16)/t;7-,11-/m.0/s1.
What are the key properties of (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid?
(1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 426.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-amino-1,2-dihydroindene-1,3-dicarboxylic acid;1-amino-2-ethyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 91278543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).