(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid

C15H17NO6 — CID 125151737

IUPAC(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17NO6/c17-14(16-3-4-20-9-11(16)15(18)19)8-10-1-2-12-13(7-10)22-6-5-21-12/h1-2,7,11H,3-6,8-9H2,(H,18,19)/t11-/m1/s1
InChIKeyKYYQLGJZJXVGKM-LLVKDONJSA-N
MW307.30 g/mol
LogP0.31
Rot. Bonds3

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

(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 125151737) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID125151737
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17NO6/c17-14(16-3-4-20-9-11(16)15(18)19)8-10-1-2-12-13(7-10)22-6-5-21-12/h1-2,7,11H,3-6,8-9H2,(H,18,19)/t11-/m1/s1
InChIKeyKYYQLGJZJXVGKM-LLVKDONJSA-N
XLogP0.31
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 94486729
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133070
(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
ethyl (2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidine-2-carboxylate
CID 95150996
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174732
(2S)-4-[2-(1,3-benzodioxol-5-yl)acetyl]-1-methylpiperazine-2-carboxylic acid
CID 95210415
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
1-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-4,4-difluoropiperidine-2-carboxylic acid
CID 155957113

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid (CID 125151737) is (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is KYYQLGJZJXVGKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO6/c17-14(16-3-4-20-9-11(16)15(18)19)8-10-1-2-12-13(7-10)22-6-5-21-12/h1-2,7,11H,3-6,8-9H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 307.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125151737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).