formamide;2-morpholin-4-ylethanamine;oxalic acid

C9H19N3O6 — CID 158703025

IUPACformamide;2-morpholin-4-ylethanamine;oxalic acid
SMILESNC=O.NCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C6H14N2O.C2H2O4.CH3NO/c7-1-2-8-3-5-9-6-4-8;3-1(4)2(5)6;2-1-3/h1-7H2;(H,3,4)(H,5,6);1H,(H2,2,3)
InChIKeyIHTXUOZYJKUJHW-UHFFFAOYSA-N
MW265.27 g/mol
LogP-2.47
Rot. Bonds2

About formamide;2-morpholin-4-ylethanamine;oxalic acid

formamide;2-morpholin-4-ylethanamine;oxalic acid (PubChem CID 158703025) has the molecular formula C9H19N3O6 and a molecular weight of 265.27 g/mol. Its IUPAC name is formamide;2-morpholin-4-ylethanamine;oxalic acid.

Molecular Properties

Compound Nameformamide;2-morpholin-4-ylethanamine;oxalic acid
PubChem CID158703025
Molecular FormulaC9H19N3O6
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Nameformamide;2-morpholin-4-ylethanamine;oxalic acid
SMILESNC=O.NCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C6H14N2O.C2H2O4.CH3NO/c7-1-2-8-3-5-9-6-4-8;3-1(4)2(5)6;2-1-3/h1-7H2;(H,3,4)(H,5,6);1H,(H2,2,3)
InChIKeyIHTXUOZYJKUJHW-UHFFFAOYSA-N
XLogP-2.47
TPSA156.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;2-morpholin-4-ylethanamine;oxalic acid?
The IUPAC name of formamide;2-morpholin-4-ylethanamine;oxalic acid (CID 158703025) is formamide;2-morpholin-4-ylethanamine;oxalic acid.
What is the SMILES notation for formamide;2-morpholin-4-ylethanamine;oxalic acid?
The canonical SMILES for formamide;2-morpholin-4-ylethanamine;oxalic acid is NC=O.NCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of formamide;2-morpholin-4-ylethanamine;oxalic acid?
The InChIKey is IHTXUOZYJKUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H2O4.CH3NO/c7-1-2-8-3-5-9-6-4-8;3-1(4)2(5)6;2-1-3/h1-7H2;(H,3,4)(H,5,6);1H,(H2,2,3).
What are the key properties of formamide;2-morpholin-4-ylethanamine;oxalic acid?
formamide;2-morpholin-4-ylethanamine;oxalic acid has a molecular weight of 265.27 g/mol, XLogP of -2.47, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-morpholin-4-ylethanamine;oxalic acid is sourced from PubChem (CID 158703025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).