2-methoxy-3-morpholin-3-ylbenzoic acid

C12H15NO4 — CID 175436476

IUPAC2-methoxy-3-morpholin-3-ylbenzoic acid
SMILESCOc1c(C(=O)O)cccc1C1COCCN1
InChIInChI=1S/C12H15NO4/c1-16-11-8(10-7-17-6-5-13-10)3-2-4-9(11)12(14)15/h2-4,10,13H,5-7H2,1H3,(H,14,15)
InChIKeyGEOAESLPBNWNIZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.05
Rot. Bonds3

About 2-methoxy-3-morpholin-3-ylbenzoic acid

2-methoxy-3-morpholin-3-ylbenzoic acid (PubChem CID 175436476) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-methoxy-3-morpholin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-3-morpholin-3-ylbenzoic acid
PubChem CID175436476
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-methoxy-3-morpholin-3-ylbenzoic acid
SMILESCOc1c(C(=O)O)cccc1C1COCCN1
InChIInChI=1S/C12H15NO4/c1-16-11-8(10-7-17-6-5-13-10)3-2-4-9(11)12(14)15/h2-4,10,13H,5-7H2,1H3,(H,14,15)
InChIKeyGEOAESLPBNWNIZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-morpholin-3-ylbenzoic acid?
The IUPAC name of 2-methoxy-3-morpholin-3-ylbenzoic acid (CID 175436476) is 2-methoxy-3-morpholin-3-ylbenzoic acid.
What is the SMILES notation for 2-methoxy-3-morpholin-3-ylbenzoic acid?
The canonical SMILES for 2-methoxy-3-morpholin-3-ylbenzoic acid is COc1c(C(=O)O)cccc1C1COCCN1.
What is the InChIKey of 2-methoxy-3-morpholin-3-ylbenzoic acid?
The InChIKey is GEOAESLPBNWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-11-8(10-7-17-6-5-13-10)3-2-4-9(11)12(14)15/h2-4,10,13H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-3-morpholin-3-ylbenzoic acid?
2-methoxy-3-morpholin-3-ylbenzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-morpholin-3-ylbenzoic acid is sourced from PubChem (CID 175436476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).