4-amino-2-morpholin-4-yl-4-oxobutanoic acid

C8H14N2O4 — CID 54220363

IUPAC4-amino-2-morpholin-4-yl-4-oxobutanoic acid
SMILESNC(=O)CC(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H14N2O4/c9-7(11)5-6(8(12)13)10-1-3-14-4-2-10/h6H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyQCDQBVKHODOQLO-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.35
Rot. Bonds4

About 4-amino-2-morpholin-4-yl-4-oxobutanoic acid

4-amino-2-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 54220363) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-4-oxobutanoic acid
PubChem CID54220363
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-amino-2-morpholin-4-yl-4-oxobutanoic acid
SMILESNC(=O)CC(C(=O)O)N1CCOCC1
InChIInChI=1S/C8H14N2O4/c9-7(11)5-6(8(12)13)10-1-3-14-4-2-10/h6H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyQCDQBVKHODOQLO-UHFFFAOYSA-N
XLogP-1.35
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-morpholin-4-yl-4-oxobutanoic acid (CID 54220363) is 4-amino-2-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-morpholin-4-yl-4-oxobutanoic acid is NC(=O)CC(C(=O)O)N1CCOCC1.
What is the InChIKey of 4-amino-2-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is QCDQBVKHODOQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-7(11)5-6(8(12)13)10-1-3-14-4-2-10/h6H,1-5H2,(H2,9,11)(H,12,13).
What are the key properties of 4-amino-2-morpholin-4-yl-4-oxobutanoic acid?
4-amino-2-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 54220363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).