2-hydroxy-2-nitroacetic acid

C2H3NO5 — CID 57258933

IUPAC2-hydroxy-2-nitroacetic acid
SMILESO=C(O)C(O)[N+](=O)[O-]
InChIInChI=1S/C2H3NO5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)
InChIKeyJMAZSSVXKRDTBL-UHFFFAOYSA-N
MW121.05 g/mol
LogP-1.33
Rot. Bonds2

About 2-hydroxy-2-nitroacetic acid

2-hydroxy-2-nitroacetic acid (PubChem CID 57258933) has the molecular formula C2H3NO5 and a molecular weight of 121.05 g/mol. Its IUPAC name is 2-hydroxy-2-nitroacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-nitroacetic acid
PubChem CID57258933
Molecular FormulaC2H3NO5
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Name2-hydroxy-2-nitroacetic acid
SMILESO=C(O)C(O)[N+](=O)[O-]
InChIInChI=1S/C2H3NO5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)
InChIKeyJMAZSSVXKRDTBL-UHFFFAOYSA-N
XLogP-1.33
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-nitroacetic 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

2-hydroxy-3-nitrobutanoic acid
CID 55299089
potassium;carbanide;2,2-dinitroacetic acid
CID 88776833
3,3-difluoro-2-nitropropanoic acid
CID 87346608
2,3-dinitrobutanedioic acid;2-hydroxyacetic acid
CID 161141849
1-(3,4-dimethylphenyl)-2-hydroxy-2-nitroethanone
CID 57115544
copper 1-nitroethanol
CID 87244389
azane;1-nitroethanol
CID 88789428
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
(2S,4S)-2-hydroxy-4-methyl-5-nitropentanoic acid
CID 11095181
2-nitrohexanoic acid
CID 57436977
3-hydroxy-2-nitramidopropanoic acid
CID 174359064
bismuth;2-amino-3-sulfanylpropanoic acid;nitrate
CID 21146932

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-nitroacetic acid?
The IUPAC name of 2-hydroxy-2-nitroacetic acid (CID 57258933) is 2-hydroxy-2-nitroacetic acid.
What is the SMILES notation for 2-hydroxy-2-nitroacetic acid?
The canonical SMILES for 2-hydroxy-2-nitroacetic acid is O=C(O)C(O)[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-2-nitroacetic acid?
The InChIKey is JMAZSSVXKRDTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6).
What are the key properties of 2-hydroxy-2-nitroacetic acid?
2-hydroxy-2-nitroacetic acid has a molecular weight of 121.05 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-nitroacetic acid is sourced from PubChem (CID 57258933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).