(E)-3-(hydroxyamino)prop-2-enoic acid

C3H5NO3 — CID 21302988

IUPAC(E)-3-(hydroxyamino)prop-2-enoic acid
SMILESO=C(O)/C=C/NO
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h1-2,4,7H,(H,5,6)/b2-1+
InChIKeyMPUKFVHJVGIZPI-OWOJBTEDSA-N
MW103.08 g/mol
LogP-0.44
Rot. Bonds2

About (E)-3-(hydroxyamino)prop-2-enoic acid

(E)-3-(hydroxyamino)prop-2-enoic acid (PubChem CID 21302988) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is (E)-3-(hydroxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(hydroxyamino)prop-2-enoic acid
PubChem CID21302988
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name(E)-3-(hydroxyamino)prop-2-enoic acid
SMILESO=C(O)/C=C/NO
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h1-2,4,7H,(H,5,6)/b2-1+
InChIKeyMPUKFVHJVGIZPI-OWOJBTEDSA-N
XLogP-0.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(hydroxyamino)prop-2-enoic acid?
The IUPAC name of (E)-3-(hydroxyamino)prop-2-enoic acid (CID 21302988) is (E)-3-(hydroxyamino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(hydroxyamino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(hydroxyamino)prop-2-enoic acid is O=C(O)/C=C/NO.
What is the InChIKey of (E)-3-(hydroxyamino)prop-2-enoic acid?
The InChIKey is MPUKFVHJVGIZPI-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h1-2,4,7H,(H,5,6)/b2-1+.
What are the key properties of (E)-3-(hydroxyamino)prop-2-enoic acid?
(E)-3-(hydroxyamino)prop-2-enoic acid has a molecular weight of 103.08 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(hydroxyamino)prop-2-enoic acid is sourced from PubChem (CID 21302988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).