CID 66963072

C5H6NNa2O3 — CID 66963072

IUPAC—
SMILESO=C1CCC(C(=O)[O-])N1.[Na+].[Na]
InChIInChI=1S/C5H7NO3.2Na/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);;/q;;+1/p-1
InChIKeyMOSGFIVHMBZNAB-UHFFFAOYSA-M
MW174.09 g/mol
LogP-5.36
Rot. Bonds1

About CID 66963072

CID 66963072 (PubChem CID 66963072) has the molecular formula C5H6NNa2O3 and a molecular weight of 174.09 g/mol.

Molecular Properties

Compound NameCID 66963072
PubChem CID66963072
Molecular FormulaC5H6NNa2O3
Molecular Weight174.09 g/mol
Exact Mass174.01
IUPAC Name—
SMILESO=C1CCC(C(=O)[O-])N1.[Na+].[Na]
InChIInChI=1S/C5H7NO3.2Na/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);;/q;;+1/p-1
InChIKeyMOSGFIVHMBZNAB-UHFFFAOYSA-M
XLogP-5.36
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 5-5.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 66963072?
The IUPAC name of CID 66963072 (CID 66963072) is not available.
What is the SMILES notation for CID 66963072?
The canonical SMILES for CID 66963072 is O=C1CCC(C(=O)[O-])N1.[Na+].[Na].
What is the InChIKey of CID 66963072?
The InChIKey is MOSGFIVHMBZNAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.2Na/c7-4-2-1-3(6-4)5(8)9;;/h3H,1-2H2,(H,6,7)(H,8,9);;/q;;+1/p-1.
What are the key properties of CID 66963072?
CID 66963072 has a molecular weight of 174.09 g/mol, XLogP of -5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66963072 is sourced from PubChem (CID 66963072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).