hydroxy nitrite;2-oxopropanoic acid

C3H5NO6 — CID 130339015

IUPAChydroxy nitrite;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.O=NOO
InChIInChI=1S/C3H4O3.HNO3/c1-2(4)3(5)6;2-1-4-3/h1H3,(H,5,6);3H
InChIKeyDPJIAWIXALCXLL-UHFFFAOYSA-N
MW151.07 g/mol
LogP-0.18
Rot. Bonds2

About hydroxy nitrite;2-oxopropanoic acid

hydroxy nitrite;2-oxopropanoic acid (PubChem CID 130339015) has the molecular formula C3H5NO6 and a molecular weight of 151.07 g/mol. Its IUPAC name is hydroxy nitrite;2-oxopropanoic acid.

Molecular Properties

Compound Namehydroxy nitrite;2-oxopropanoic acid
PubChem CID130339015
Molecular FormulaC3H5NO6
Molecular Weight151.07 g/mol
Exact Mass151.01
IUPAC Namehydroxy nitrite;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.O=NOO
InChIInChI=1S/C3H4O3.HNO3/c1-2(4)3(5)6;2-1-4-3/h1H3,(H,5,6);3H
InChIKeyDPJIAWIXALCXLL-UHFFFAOYSA-N
XLogP-0.18
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.07
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze hydroxy nitrite;2-oxopropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

manganese(2+);2-oxopropanoic acid
CID 162367990
CID 131870939
CID 131870939
strontium 2-oxopropanoic acid
CID 10154276
iridium;2-oxopropanoic acid
CID 174870791
sodium;2-oxopropanoic acid;chloride
CID 173324944
2-oxopropanoic acid;titanium;zirconium
CID 174908427
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
ethanol;bis(2-oxopropanoic acid)
CID 159682391
hydroxy nitrite;phosphoric acid
CID 175479326
acetic acid;ruthenium
CID 175502908
trilithium;bis(2-oxopropanoic acid);borate
CID 175964793
amino nitrite;propan-2-one
CID 22253428

Frequently Asked Questions

What is the IUPAC name of hydroxy nitrite;2-oxopropanoic acid?
The IUPAC name of hydroxy nitrite;2-oxopropanoic acid (CID 130339015) is hydroxy nitrite;2-oxopropanoic acid.
What is the SMILES notation for hydroxy nitrite;2-oxopropanoic acid?
The canonical SMILES for hydroxy nitrite;2-oxopropanoic acid is CC(=O)C(=O)O.O=NOO.
What is the InChIKey of hydroxy nitrite;2-oxopropanoic acid?
The InChIKey is DPJIAWIXALCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.HNO3/c1-2(4)3(5)6;2-1-4-3/h1H3,(H,5,6);3H.
What are the key properties of hydroxy nitrite;2-oxopropanoic acid?
hydroxy nitrite;2-oxopropanoic acid has a molecular weight of 151.07 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy nitrite;2-oxopropanoic acid is sourced from PubChem (CID 130339015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).