3-hydroxy-2-nitramidopropanoic acid

C3H6N2O5 — CID 174359064

IUPAC3-hydroxy-2-nitramidopropanoic acid
SMILESO=C(O)C(CO)N[N+](=O)[O-]
InChIInChI=1S/C3H6N2O5/c6-1-2(3(7)8)4-5(9)10/h2,4,6H,1H2,(H,7,8)
InChIKeyJFSCAMOLMXOBPM-UHFFFAOYSA-N
MW150.09 g/mol
LogP-1.79
Rot. Bonds4

About 3-hydroxy-2-nitramidopropanoic acid

3-hydroxy-2-nitramidopropanoic acid (PubChem CID 174359064) has the molecular formula C3H6N2O5 and a molecular weight of 150.09 g/mol. Its IUPAC name is 3-hydroxy-2-nitramidopropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-nitramidopropanoic acid
PubChem CID174359064
Molecular FormulaC3H6N2O5
Molecular Weight150.09 g/mol
Exact Mass150.03
IUPAC Name3-hydroxy-2-nitramidopropanoic acid
SMILESO=C(O)C(CO)N[N+](=O)[O-]
InChIInChI=1S/C3H6N2O5/c6-1-2(3(7)8)4-5(9)10/h2,4,6H,1H2,(H,7,8)
InChIKeyJFSCAMOLMXOBPM-UHFFFAOYSA-N
XLogP-1.79
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-nitramidopropanoic acid?
The IUPAC name of 3-hydroxy-2-nitramidopropanoic acid (CID 174359064) is 3-hydroxy-2-nitramidopropanoic acid.
What is the SMILES notation for 3-hydroxy-2-nitramidopropanoic acid?
The canonical SMILES for 3-hydroxy-2-nitramidopropanoic acid is O=C(O)C(CO)N[N+](=O)[O-].
What is the InChIKey of 3-hydroxy-2-nitramidopropanoic acid?
The InChIKey is JFSCAMOLMXOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O5/c6-1-2(3(7)8)4-5(9)10/h2,4,6H,1H2,(H,7,8).
What are the key properties of 3-hydroxy-2-nitramidopropanoic acid?
3-hydroxy-2-nitramidopropanoic acid has a molecular weight of 150.09 g/mol, XLogP of -1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-nitramidopropanoic acid is sourced from PubChem (CID 174359064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).