2-hydroxy-2-oxoacetate;morpholin-4-ium

C6H11NO5 — CID 139088720

IUPAC2-hydroxy-2-oxoacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])C(=O)O
InChIInChI=1S/C4H9NO.C2H2O4/c1-3-6-4-2-5-1;3-1(4)2(5)6/h5H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZKSZSWJQBXLNMN-UHFFFAOYSA-N
MW177.16 g/mol
LogP-3.60
Rot. Bonds

About 2-hydroxy-2-oxoacetate;morpholin-4-ium

2-hydroxy-2-oxoacetate;morpholin-4-ium (PubChem CID 139088720) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-hydroxy-2-oxoacetate;morpholin-4-ium.

Molecular Properties

Compound Name2-hydroxy-2-oxoacetate;morpholin-4-ium
PubChem CID139088720
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-hydroxy-2-oxoacetate;morpholin-4-ium
SMILESC1COCC[NH2+]1.O=C([O-])C(=O)O
InChIInChI=1S/C4H9NO.C2H2O4/c1-3-6-4-2-5-1;3-1(4)2(5)6/h5H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZKSZSWJQBXLNMN-UHFFFAOYSA-N
XLogP-3.60
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-3.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, acetate (1:1)
CID 11964105
2-Hydroxypropanoic acid--morpholine (1/1)
CID 53472037
Morpholinium glycolate
CID 71439609
Ethanol, 2,2'-iminobis-, ethanedioate (1:?)
CID 169105
Acetic acid, 2-hydroxy-, compd. with morpholine (1:1)
CID 171869
4-(3-Azaniumylpropyl)morpholin-4-ium chloride hydrogen oxalate
CID 139061913
Morpholine carbonate
CID 68879409
2-methoxy-N-methylethanamine;oxalic acid
CID 300976
2-[2-[2-(Methylamino)ethoxy]ethoxy]acetic acid
CID 9855624
2-[2-(Carboxymethoxy)ethylamino]acetic acid
CID 10130202
3-Hydroxymorpholin-2-one
CID 23063451
Morpholine oxalate
CID 23315789

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxoacetate;morpholin-4-ium?
The IUPAC name of 2-hydroxy-2-oxoacetate;morpholin-4-ium (CID 139088720) is 2-hydroxy-2-oxoacetate;morpholin-4-ium.
What is the SMILES notation for 2-hydroxy-2-oxoacetate;morpholin-4-ium?
The canonical SMILES for 2-hydroxy-2-oxoacetate;morpholin-4-ium is C1COCC[NH2+]1.O=C([O-])C(=O)O.
What is the InChIKey of 2-hydroxy-2-oxoacetate;morpholin-4-ium?
The InChIKey is ZKSZSWJQBXLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H2O4/c1-3-6-4-2-5-1;3-1(4)2(5)6/h5H,1-4H2;(H,3,4)(H,5,6).
What are the key properties of 2-hydroxy-2-oxoacetate;morpholin-4-ium?
2-hydroxy-2-oxoacetate;morpholin-4-ium has a molecular weight of 177.16 g/mol, XLogP of -3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxoacetate;morpholin-4-ium is sourced from PubChem (CID 139088720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).