(Z)-3-aminoprop-2-eneperoxoic acid

C3H5NO3 — CID 46173085

IUPAC(Z)-3-aminoprop-2-eneperoxoic acid
SMILESN/C=C\C(=O)OO
InChIInChI=1S/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-
InChIKeyWQKGFGLGYOHJOG-UPHRSURJSA-N
MW103.08 g/mol
LogP-0.52
Rot. Bonds1

About (Z)-3-aminoprop-2-eneperoxoic acid

(Z)-3-aminoprop-2-eneperoxoic acid (PubChem CID 46173085) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is (Z)-3-aminoprop-2-eneperoxoic acid.

Molecular Properties

Compound Name(Z)-3-aminoprop-2-eneperoxoic acid
PubChem CID46173085
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name(Z)-3-aminoprop-2-eneperoxoic acid
SMILESN/C=C\C(=O)OO
InChIInChI=1S/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-
InChIKeyWQKGFGLGYOHJOG-UPHRSURJSA-N
XLogP-0.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-aminoprop-2-eneperoxoic acid?
The IUPAC name of (Z)-3-aminoprop-2-eneperoxoic acid (CID 46173085) is (Z)-3-aminoprop-2-eneperoxoic acid.
What is the SMILES notation for (Z)-3-aminoprop-2-eneperoxoic acid?
The canonical SMILES for (Z)-3-aminoprop-2-eneperoxoic acid is N/C=C\C(=O)OO.
What is the InChIKey of (Z)-3-aminoprop-2-eneperoxoic acid?
The InChIKey is WQKGFGLGYOHJOG-UPHRSURJSA-N. The full InChI is InChI=1S/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-.
What are the key properties of (Z)-3-aminoprop-2-eneperoxoic acid?
(Z)-3-aminoprop-2-eneperoxoic acid has a molecular weight of 103.08 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminoprop-2-eneperoxoic acid is sourced from PubChem (CID 46173085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).