2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid

C15H19NO5 — CID 66433927

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H19NO5/c17-15(18)8-12-10-16(3-4-19-12)9-11-1-2-13-14(7-11)21-6-5-20-13/h1-2,7,12H,3-6,8-10H2,(H,17,18)
InChIKeyNWADKNSJLOAYDD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid (PubChem CID 66433927) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
PubChem CID66433927
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H19NO5/c17-15(18)8-12-10-16(3-4-19-12)9-11-1-2-13-14(7-11)21-6-5-20-13/h1-2,7,12H,3-6,8-10H2,(H,17,18)
InChIKeyNWADKNSJLOAYDD-UHFFFAOYSA-N
XLogP1.13
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]acetic acid
CID 65059851
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74232188
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine
CID 124989717
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxylic acid
CID 65054433
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
CID 119247939
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 42793697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid (CID 66433927) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(Cc2ccc3c(c2)OCCO3)CCO1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid?
The InChIKey is NWADKNSJLOAYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-15(18)8-12-10-16(3-4-19-12)9-11-1-2-13-14(7-11)21-6-5-20-13/h1-2,7,12H,3-6,8-10H2,(H,17,18).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).