azanium 2-(ethylcarbamoylamino)-2-oxoacetate

C5H11N3O4 — CID 3064869

IUPACazanium 2-(ethylcarbamoylamino)-2-oxoacetate
SMILESCCNC(=O)NC(=O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H8N2O4.H3N/c1-2-6-5(11)7-3(8)4(9)10;/h2H2,1H3,(H,9,10)(H2,6,7,8,11);1H3
InChIKeyOIXKHCJUTFWBBL-UHFFFAOYSA-N
MW177.16 g/mol
LogP-2.04
Rot. Bonds1

About azanium 2-(ethylcarbamoylamino)-2-oxoacetate

azanium 2-(ethylcarbamoylamino)-2-oxoacetate (PubChem CID 3064869) has the molecular formula C5H11N3O4 and a molecular weight of 177.16 g/mol. Its IUPAC name is azanium 2-(ethylcarbamoylamino)-2-oxoacetate.

Molecular Properties

Compound Nameazanium 2-(ethylcarbamoylamino)-2-oxoacetate
PubChem CID3064869
Molecular FormulaC5H11N3O4
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Nameazanium 2-(ethylcarbamoylamino)-2-oxoacetate
SMILESCCNC(=O)NC(=O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H8N2O4.H3N/c1-2-6-5(11)7-3(8)4(9)10;/h2H2,1H3,(H,9,10)(H2,6,7,8,11);1H3
InChIKeyOIXKHCJUTFWBBL-UHFFFAOYSA-N
XLogP-2.04
TPSA134.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.04
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 azanium 2-(ethylcarbamoylamino)-2-oxoacetate?
The IUPAC name of azanium 2-(ethylcarbamoylamino)-2-oxoacetate (CID 3064869) is azanium 2-(ethylcarbamoylamino)-2-oxoacetate.
What is the SMILES notation for azanium 2-(ethylcarbamoylamino)-2-oxoacetate?
The canonical SMILES for azanium 2-(ethylcarbamoylamino)-2-oxoacetate is CCNC(=O)NC(=O)C(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-(ethylcarbamoylamino)-2-oxoacetate?
The InChIKey is OIXKHCJUTFWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4.H3N/c1-2-6-5(11)7-3(8)4(9)10;/h2H2,1H3,(H,9,10)(H2,6,7,8,11);1H3.
What are the key properties of azanium 2-(ethylcarbamoylamino)-2-oxoacetate?
azanium 2-(ethylcarbamoylamino)-2-oxoacetate has a molecular weight of 177.16 g/mol, XLogP of -2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(ethylcarbamoylamino)-2-oxoacetate is sourced from PubChem (CID 3064869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).