ethyl 3-(hydroxyamino)propanoate

C5H11NO3 — CID 12760687

IUPACethyl 3-(hydroxyamino)propanoate
SMILESCCOC(=O)CCNO
InChIInChI=1S/C5H11NO3/c1-2-9-5(7)3-4-6-8/h6,8H,2-4H2,1H3
InChIKeyCPRQGTBKTNOAAH-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.08
Rot. Bonds4

About ethyl 3-(hydroxyamino)propanoate

ethyl 3-(hydroxyamino)propanoate (PubChem CID 12760687) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl 3-(hydroxyamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(hydroxyamino)propanoate
PubChem CID12760687
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl 3-(hydroxyamino)propanoate
SMILESCCOC(=O)CCNO
InChIInChI=1S/C5H11NO3/c1-2-9-5(7)3-4-6-8/h6,8H,2-4H2,1H3
InChIKeyCPRQGTBKTNOAAH-UHFFFAOYSA-N
XLogP-0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydroxyamino)propanoate?
The IUPAC name of ethyl 3-(hydroxyamino)propanoate (CID 12760687) is ethyl 3-(hydroxyamino)propanoate.
What is the SMILES notation for ethyl 3-(hydroxyamino)propanoate?
The canonical SMILES for ethyl 3-(hydroxyamino)propanoate is CCOC(=O)CCNO.
What is the InChIKey of ethyl 3-(hydroxyamino)propanoate?
The InChIKey is CPRQGTBKTNOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-9-5(7)3-4-6-8/h6,8H,2-4H2,1H3.
What are the key properties of ethyl 3-(hydroxyamino)propanoate?
ethyl 3-(hydroxyamino)propanoate has a molecular weight of 133.15 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydroxyamino)propanoate is sourced from PubChem (CID 12760687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).