(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid

C11H11NO4 — CID 6603702

IUPAC(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyLSTPKMWNRWCNLS-LLVKDONJSA-N
MW221.21 g/mol
LogP0.57
Rot. Bonds2

About (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid

(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid (PubChem CID 6603702) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid.

Molecular Properties

Compound Name(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
PubChem CID6603702
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
SMILESN[C@]1(C(=O)O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyLSTPKMWNRWCNLS-LLVKDONJSA-N
XLogP0.57
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The IUPAC name of (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid (CID 6603702) is (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid.
What is the SMILES notation for (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The canonical SMILES for (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid is N[C@]1(C(=O)O)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
The InChIKey is LSTPKMWNRWCNLS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid?
(1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2,3-dihydroindene-1,5-dicarboxylic acid is sourced from PubChem (CID 6603702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).