4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid

C14H18N2O4 — CID 3245854

IUPAC4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H,18,19)
InChIKeyBWSCWEPJLXLYPG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.33
Rot. Bonds5

About 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid

4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid (PubChem CID 3245854) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
PubChem CID3245854
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H,18,19)
InChIKeyBWSCWEPJLXLYPG-UHFFFAOYSA-N
XLogP1.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid (CID 3245854) is 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid?
The InChIKey is BWSCWEPJLXLYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H,18,19).
What are the key properties of 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid?
4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid is sourced from PubChem (CID 3245854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).