4-(morpholine-4-carbonyl)benzoic acid

C12H13NO4 — CID 4714236

IUPAC4-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16)
InChIKeyBFTPXPCTGHARJF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.86
Rot. Bonds2

About 4-(morpholine-4-carbonyl)benzoic acid

4-(morpholine-4-carbonyl)benzoic acid (PubChem CID 4714236) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)benzoic acid
PubChem CID4714236
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-(morpholine-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16)
InChIKeyBFTPXPCTGHARJF-UHFFFAOYSA-N
XLogP0.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)benzoic acid?
The IUPAC name of 4-(morpholine-4-carbonyl)benzoic acid (CID 4714236) is 4-(morpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 4-(morpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 4-(morpholine-4-carbonyl)benzoic acid is O=C(O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)benzoic acid?
The InChIKey is BFTPXPCTGHARJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16).
What are the key properties of 4-(morpholine-4-carbonyl)benzoic acid?
4-(morpholine-4-carbonyl)benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 4714236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).