4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid

C9H15N3O5 — CID 18917999

IUPAC4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H15N3O5/c10-7(13)5-6(8(14)15)11-9(16)12-1-3-17-4-2-12/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyYYXGZEBDZGNVKJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.64
Rot. Bonds4

About 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid

4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid (PubChem CID 18917999) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
PubChem CID18917999
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H15N3O5/c10-7(13)5-6(8(14)15)11-9(16)12-1-3-17-4-2-12/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyYYXGZEBDZGNVKJ-UHFFFAOYSA-N
XLogP-1.64
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid (CID 18917999) is 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid is NC(=O)CC(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid?
The InChIKey is YYXGZEBDZGNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-7(13)5-6(8(14)15)11-9(16)12-1-3-17-4-2-12/h6H,1-5H2,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid?
4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid has a molecular weight of 245.23 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid is sourced from PubChem (CID 18917999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).