[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate

C19H23NO6 — CID 39951769

IUPAC[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate
SMILESC[C@@H]1CN(C(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H](C)O1
InChIInChI=1S/C19H23NO6/c1-11-9-20(10-12(2)24-11)17(21)13(3)25-19(23)16-8-14-6-4-5-7-15(14)18(22)26-16/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12+,13-,16-/m0/s1
InChIKeyLXMZSEFUVBQYMT-ZWUHOBOKSA-N
MW361.39 g/mol
LogP1.34
Rot. Bonds3

About [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate

[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate (PubChem CID 39951769) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate
PubChem CID39951769
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate
SMILESC[C@@H]1CN(C(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H](C)O1
InChIInChI=1S/C19H23NO6/c1-11-9-20(10-12(2)24-11)17(21)13(3)25-19(23)16-8-14-6-4-5-7-15(14)18(22)26-16/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12+,13-,16-/m0/s1
InChIKeyLXMZSEFUVBQYMT-ZWUHOBOKSA-N
XLogP1.34
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 25479027
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 25479036
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98701392
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 40819182
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 95601721
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 95601720
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate
CID 52987078
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
[1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 42900253

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate?
The IUPAC name of [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate (CID 39951769) is [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate.
What is the SMILES notation for [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate?
The canonical SMILES for [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate is C[C@@H]1CN(C(=O)[C@H](C)OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C[C@H](C)O1.
What is the InChIKey of [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate?
The InChIKey is LXMZSEFUVBQYMT-ZWUHOBOKSA-N. The full InChI is InChI=1S/C19H23NO6/c1-11-9-20(10-12(2)24-11)17(21)13(3)25-19(23)16-8-14-6-4-5-7-15(14)18(22)26-16/h4-7,11-13,16H,8-10H2,1-3H3/t11-,12+,13-,16-/m0/s1.
What are the key properties of [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate?
[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate has a molecular weight of 361.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate is sourced from PubChem (CID 39951769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).