ethyl 3-amino-3-(hydroxyamino)prop-2-enoate

C5H10N2O3 — CID 170922879

IUPACethyl 3-amino-3-(hydroxyamino)prop-2-enoate
SMILESCCOC(=O)C=C(N)NO
InChIInChI=1S/C5H10N2O3/c1-2-10-5(8)3-4(6)7-9/h3,7,9H,2,6H2,1H3
InChIKeyHDXYQSMAQFTKHD-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.67
Rot. Bonds3

About ethyl 3-amino-3-(hydroxyamino)prop-2-enoate

ethyl 3-amino-3-(hydroxyamino)prop-2-enoate (PubChem CID 170922879) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is ethyl 3-amino-3-(hydroxyamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(hydroxyamino)prop-2-enoate
PubChem CID170922879
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Nameethyl 3-amino-3-(hydroxyamino)prop-2-enoate
SMILESCCOC(=O)C=C(N)NO
InChIInChI=1S/C5H10N2O3/c1-2-10-5(8)3-4(6)7-9/h3,7,9H,2,6H2,1H3
InChIKeyHDXYQSMAQFTKHD-UHFFFAOYSA-N
XLogP-0.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-amino-3-(propan-2-ylamino)prop-2-enoate
CID 88796370
ethyl 3,4-diamino-4-oxobut-2-enoate
CID 73191610
ethyl 3-hydroxybut-2-enoate
CID 54692957
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
ethyl (E)-3-aminohex-2-enoate
CID 10986503
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
ethyl 3-amino-4,4,4-trichlorobut-2-enoate
CID 73183108
ethyl 3-amino-4,4-difluoropent-2-enoate
CID 129278751
ethyl 3-carbamoyl-4-oxopent-2-enoate
CID 76529992
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
ethyl (Z)-3-amino-3-(2-benzoylhydrazinyl)prop-2-enoate
CID 20849886

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(hydroxyamino)prop-2-enoate?
The IUPAC name of ethyl 3-amino-3-(hydroxyamino)prop-2-enoate (CID 170922879) is ethyl 3-amino-3-(hydroxyamino)prop-2-enoate.
What is the SMILES notation for ethyl 3-amino-3-(hydroxyamino)prop-2-enoate?
The canonical SMILES for ethyl 3-amino-3-(hydroxyamino)prop-2-enoate is CCOC(=O)C=C(N)NO.
What is the InChIKey of ethyl 3-amino-3-(hydroxyamino)prop-2-enoate?
The InChIKey is HDXYQSMAQFTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-2-10-5(8)3-4(6)7-9/h3,7,9H,2,6H2,1H3.
What are the key properties of ethyl 3-amino-3-(hydroxyamino)prop-2-enoate?
ethyl 3-amino-3-(hydroxyamino)prop-2-enoate has a molecular weight of 146.15 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(hydroxyamino)prop-2-enoate is sourced from PubChem (CID 170922879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).