4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate

C10H18N2O4 — CID 7124483

IUPAC4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-9(1-2-10(14)15)11-3-4-12-5-7-16-8-6-12/h1-8H2,(H,11,13)(H,14,15)
InChIKeyLFEQSBPRIVCNRV-UHFFFAOYSA-N
MW230.26 g/mol
LogP-3.45
Rot. Bonds6

About 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate

4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate (PubChem CID 7124483) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate.

Molecular Properties

Compound Name4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate
PubChem CID7124483
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-9(1-2-10(14)15)11-3-4-12-5-7-16-8-6-12/h1-8H2,(H,11,13)(H,14,15)
InChIKeyLFEQSBPRIVCNRV-UHFFFAOYSA-N
XLogP-3.45
TPSA82.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate?
The IUPAC name of 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate (CID 7124483) is 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate.
What is the SMILES notation for 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate?
The canonical SMILES for 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate is O=C([O-])CCC(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate?
The InChIKey is LFEQSBPRIVCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-9(1-2-10(14)15)11-3-4-12-5-7-16-8-6-12/h1-8H2,(H,11,13)(H,14,15).
What are the key properties of 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate?
4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate has a molecular weight of 230.26 g/mol, XLogP of -3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ium-4-ylethylamino)-4-oxobutanoate is sourced from PubChem (CID 7124483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).