2-nitrosopropanoic acid

C3H5NO3 — CID 54121669

IUPAC2-nitrosopropanoic acid
SMILESCC(N=O)C(=O)O
InChIInChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h2H,1H3,(H,5,6)
InChIKeyNODMSFUNHCUVST-UHFFFAOYSA-N
MW103.08 g/mol
LogP0.23
Rot. Bonds2

About 2-nitrosopropanoic acid

2-nitrosopropanoic acid (PubChem CID 54121669) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is 2-nitrosopropanoic acid.

Molecular Properties

Compound Name2-nitrosopropanoic acid
PubChem CID54121669
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name2-nitrosopropanoic acid
SMILESCC(N=O)C(=O)O
InChIInChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h2H,1H3,(H,5,6)
InChIKeyNODMSFUNHCUVST-UHFFFAOYSA-N
XLogP0.23
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosopropanoic acid?
The IUPAC name of 2-nitrosopropanoic acid (CID 54121669) is 2-nitrosopropanoic acid.
What is the SMILES notation for 2-nitrosopropanoic acid?
The canonical SMILES for 2-nitrosopropanoic acid is CC(N=O)C(=O)O.
What is the InChIKey of 2-nitrosopropanoic acid?
The InChIKey is NODMSFUNHCUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h2H,1H3,(H,5,6).
What are the key properties of 2-nitrosopropanoic acid?
2-nitrosopropanoic acid has a molecular weight of 103.08 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopropanoic acid is sourced from PubChem (CID 54121669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).