amino prop-2-eneperoxoate

C3H5NO3 — CID 54317531

IUPACamino prop-2-eneperoxoate
SMILESC=CC(=O)OON
InChIInChI=1S/C3H5NO3/c1-2-3(5)6-7-4/h2H,1,4H2
InChIKeySPHCOYDTHZBMKM-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.48
Rot. Bonds2

About amino prop-2-eneperoxoate

amino prop-2-eneperoxoate (PubChem CID 54317531) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is amino prop-2-eneperoxoate.

Molecular Properties

Compound Nameamino prop-2-eneperoxoate
PubChem CID54317531
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Nameamino prop-2-eneperoxoate
SMILESC=CC(=O)OON
InChIInChI=1S/C3H5NO3/c1-2-3(5)6-7-4/h2H,1,4H2
InChIKeySPHCOYDTHZBMKM-UHFFFAOYSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
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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Related Compounds

amino prop-2-enoate;hydrofluoride
CID 174948745
carbamic acid;methyl prop-2-eneperoxoate
CID 160528403
amino prop-2-enoate;sulfanylidenecopper
CID 174997703
amino prop-2-enoate;N,N-dimethylmethanamine
CID 174521211
methyl prop-2-eneperoxoate;methyl prop-2-enoate
CID 158304508
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
ethyl prop-2-eneperoxoate
CID 18352416
oxirane;prop-2-enoyloxy prop-2-eneperoxoate
CID 88522939
2-chloroethyl prop-2-enoate
CID 16627
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(2,2,2-trifluoroacetyl) prop-2-eneperoxoate
CID 140517984
prop-2-enamide;ruthenium
CID 90254548

Frequently Asked Questions

What is the IUPAC name of amino prop-2-eneperoxoate?
The IUPAC name of amino prop-2-eneperoxoate (CID 54317531) is amino prop-2-eneperoxoate.
What is the SMILES notation for amino prop-2-eneperoxoate?
The canonical SMILES for amino prop-2-eneperoxoate is C=CC(=O)OON.
What is the InChIKey of amino prop-2-eneperoxoate?
The InChIKey is SPHCOYDTHZBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c1-2-3(5)6-7-4/h2H,1,4H2.
What are the key properties of amino prop-2-eneperoxoate?
amino prop-2-eneperoxoate has a molecular weight of 103.08 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino prop-2-eneperoxoate is sourced from PubChem (CID 54317531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).