2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride

C9H19ClN2O5 — CID 139061913

IUPAC2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride
SMILESO=C([O-])C(=O)O.[Cl-].[NH3+]CCC[NH+]1CCOCC1
InChIInChI=1S/C7H16N2O.C2H2O4.ClH/c8-2-1-3-9-4-6-10-7-5-9;3-1(4)2(5)6;/h1-8H2;(H,3,4)(H,5,6);1H
InChIKeyBCBUDKFGUGNGFK-UHFFFAOYSA-N
MW270.71 g/mol
LogP-7.64
Rot. Bonds3

About 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride

2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride (PubChem CID 139061913) has the molecular formula C9H19ClN2O5 and a molecular weight of 270.71 g/mol. Its IUPAC name is 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride.

Molecular Properties

Compound Name2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride
PubChem CID139061913
Molecular FormulaC9H19ClN2O5
Molecular Weight270.71 g/mol
Exact Mass270.10
IUPAC Name2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride
SMILESO=C([O-])C(=O)O.[Cl-].[NH3+]CCC[NH+]1CCOCC1
InChIInChI=1S/C7H16N2O.C2H2O4.ClH/c8-2-1-3-9-4-6-10-7-5-9;3-1(4)2(5)6;/h1-8H2;(H,3,4)(H,5,6);1H
InChIKeyBCBUDKFGUGNGFK-UHFFFAOYSA-N
XLogP-7.64
TPSA118.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 5-7.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride?
The IUPAC name of 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride (CID 139061913) is 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride.
What is the SMILES notation for 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride?
The canonical SMILES for 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride is O=C([O-])C(=O)O.[Cl-].[NH3+]CCC[NH+]1CCOCC1.
What is the InChIKey of 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride?
The InChIKey is BCBUDKFGUGNGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H2O4.ClH/c8-2-1-3-9-4-6-10-7-5-9;3-1(4)2(5)6;/h1-8H2;(H,3,4)(H,5,6);1H.
What are the key properties of 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride?
2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride has a molecular weight of 270.71 g/mol, XLogP of -7.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxoacetate;3-morpholin-4-ium-4-ylpropylazanium;chloride is sourced from PubChem (CID 139061913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).