2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid

C16H21NO3 — CID 56862053

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
SMILESC[C@@H]1CN(C2(C(=O)O)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C16H21NO3/c1-11-9-17(10-12(2)20-11)16(15(18)19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t11-,12+
InChIKeyZJKGRKSUCAJYJC-TXEJJXNPSA-N
MW275.35 g/mol
LogP1.72
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 56862053) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID56862053
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
SMILESC[C@@H]1CN(C2(C(=O)O)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C16H21NO3/c1-11-9-17(10-12(2)20-11)16(15(18)19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t11-,12+
InChIKeyZJKGRKSUCAJYJC-TXEJJXNPSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid (CID 56862053) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid is C[C@@H]1CN(C2(C(=O)O)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is ZJKGRKSUCAJYJC-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-9-17(10-12(2)20-11)16(15(18)19)7-13-5-3-4-6-14(13)8-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 56862053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).