(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid

C14H15NO6 — CID 129366605

IUPAC(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCO1
InChIInChI=1S/C14H15NO6/c16-13(15-5-6-19-11(7-15)14(17)18)12-8-20-9-3-1-2-4-10(9)21-12/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyOSLCUNMQIIZKTQ-NEPJUHHUSA-N
MW293.27 g/mol
LogP0.14
Rot. Bonds2

About (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 129366605) has the molecular formula C14H15NO6 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID129366605
Molecular FormulaC14H15NO6
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCO1
InChIInChI=1S/C14H15NO6/c16-13(15-5-6-19-11(7-15)14(17)18)12-8-20-9-3-1-2-4-10(9)21-12/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m1/s1
InChIKeyOSLCUNMQIIZKTQ-NEPJUHHUSA-N
XLogP0.14
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044165
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 755163
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032725
[(3R)-3-aminopiperidin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 86318992
2,3-dihydro-1,4-benzodioxin-3-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501581
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanone
CID 51150235
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 97121021
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
CID 154849569

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid (CID 129366605) is (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCO1.
What is the InChIKey of (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is OSLCUNMQIIZKTQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H15NO6/c16-13(15-5-6-19-11(7-15)14(17)18)12-8-20-9-3-1-2-4-10(9)21-12/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129366605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).