4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid

C10H18N2O4 — CID 567610

IUPAC4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCN1CCOCC1
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-0.70
Rot. Bonds6

About 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid

4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid (PubChem CID 567610) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
PubChem CID567610
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCN1CCOCC1
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-0.70
TPSA78.87 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 ≤ 5-0.70
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-ylethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid (CID 567610) is 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid?
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-ylethylamino)-4-oxobutanoic acid?
4-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 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-ylethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 567610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).