[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium

C5H8N3O5+ — CID 78224648

IUPAC[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/p+1/t2-/m0/s1
InChIKeyASNFTDCKZKHJSW-REOHCLBHSA-O
MW190.13 g/mol
LogP-3.18
Rot. Bonds3

About [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium

[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium (PubChem CID 78224648) has the molecular formula C5H8N3O5+ and a molecular weight of 190.13 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium
PubChem CID78224648
Molecular FormulaC5H8N3O5+
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/p+1/t2-/m0/s1
InChIKeyASNFTDCKZKHJSW-REOHCLBHSA-O
XLogP-3.18
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-3.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium (CID 78224648) is [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium is [NH3+][C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium?
The InChIKey is ASNFTDCKZKHJSW-REOHCLBHSA-O. The full InChI is InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/p+1/t2-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium?
[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium has a molecular weight of 190.13 g/mol, XLogP of -3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium is sourced from PubChem (CID 78224648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).