CID 59896886

C4H5N2O3 — CID 59896886

IUPAC—
SMILESO=C1NC[C](C(=O)O)N1
InChIInChI=1S/C4H5N2O3/c7-3(8)2-1-5-4(9)6-2/h1H2,(H,7,8)(H2,5,6,9)
InChIKeyCBRFAMHBYBMVMF-UHFFFAOYSA-N
MW129.09 g/mol
LogP-1.08
Rot. Bonds1

About CID 59896886

CID 59896886 (PubChem CID 59896886) has the molecular formula C4H5N2O3 and a molecular weight of 129.09 g/mol.

Molecular Properties

Compound NameCID 59896886
PubChem CID59896886
Molecular FormulaC4H5N2O3
Molecular Weight129.09 g/mol
Exact Mass129.03
IUPAC Name—
SMILESO=C1NC[C](C(=O)O)N1
InChIInChI=1S/C4H5N2O3/c7-3(8)2-1-5-4(9)6-2/h1H2,(H,7,8)(H2,5,6,9)
InChIKeyCBRFAMHBYBMVMF-UHFFFAOYSA-N
XLogP-1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59896886?
The IUPAC name of CID 59896886 (CID 59896886) is not available.
What is the SMILES notation for CID 59896886?
The canonical SMILES for CID 59896886 is O=C1NC[C](C(=O)O)N1.
What is the InChIKey of CID 59896886?
The InChIKey is CBRFAMHBYBMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O3/c7-3(8)2-1-5-4(9)6-2/h1H2,(H,7,8)(H2,5,6,9).
What are the key properties of CID 59896886?
CID 59896886 has a molecular weight of 129.09 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59896886 is sourced from PubChem (CID 59896886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).