2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid

C15H21NO5 — CID 57242341

IUPAC2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
SMILESCOc1cccc(C2CN(C(C)C(=O)O)CCO2)c1OC
InChIInChI=1S/C15H21NO5/c1-10(15(17)18)16-7-8-21-13(9-16)11-5-4-6-12(19-2)14(11)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,17,18)
InChIKeyWRTRGQFZVRAYEP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid

2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid (PubChem CID 57242341) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
PubChem CID57242341
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
SMILESCOc1cccc(C2CN(C(C)C(=O)O)CCO2)c1OC
InChIInChI=1S/C15H21NO5/c1-10(15(17)18)16-7-8-21-13(9-16)11-5-4-6-12(19-2)14(11)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,17,18)
InChIKeyWRTRGQFZVRAYEP-UHFFFAOYSA-N
XLogP1.55
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid (CID 57242341) is 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid is COc1cccc(C2CN(C(C)C(=O)O)CCO2)c1OC.
What is the InChIKey of 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid?
The InChIKey is WRTRGQFZVRAYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(15(17)18)16-7-8-21-13(9-16)11-5-4-6-12(19-2)14(11)20-3/h4-6,10,13H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid?
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 57242341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).