4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid

C13H15NO5 — CID 117008801

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C13H15NO5/c15-13(16)12-8-14(3-4-17-12)9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7,12H,3-6,8H2,(H,15,16)
InChIKeyHJHKYFYTGDSICD-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.75
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid

4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid (PubChem CID 117008801) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
PubChem CID117008801
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C13H15NO5/c15-13(16)12-8-14(3-4-17-12)9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7,12H,3-6,8H2,(H,15,16)
InChIKeyHJHKYFYTGDSICD-UHFFFAOYSA-N
XLogP0.75
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 117009780
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 117022290
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013245
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988508
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
CID 129366605

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid (CID 117008801) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid is O=C(O)C1CN(c2ccc3c(c2)OCCO3)CCO1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid?
The InChIKey is HJHKYFYTGDSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-13(16)12-8-14(3-4-17-12)9-1-2-10-11(7-9)19-6-5-18-10/h1-2,7,12H,3-6,8H2,(H,15,16).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 117008801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).