ethyl 3-(dihydroxyamino)oxypropanoate

C5H11NO5 — CID 88938903

IUPACethyl 3-(dihydroxyamino)oxypropanoate
SMILESCCOC(=O)CCON(O)O
InChIInChI=1S/C5H11NO5/c1-2-10-5(7)3-4-11-6(8)9/h8-9H,2-4H2,1H3
InChIKeyTZFJWDJXJIPILS-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.05
Rot. Bonds5

About ethyl 3-(dihydroxyamino)oxypropanoate

ethyl 3-(dihydroxyamino)oxypropanoate (PubChem CID 88938903) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is ethyl 3-(dihydroxyamino)oxypropanoate.

Molecular Properties

Compound Nameethyl 3-(dihydroxyamino)oxypropanoate
PubChem CID88938903
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Nameethyl 3-(dihydroxyamino)oxypropanoate
SMILESCCOC(=O)CCON(O)O
InChIInChI=1S/C5H11NO5/c1-2-10-5(7)3-4-11-6(8)9/h8-9H,2-4H2,1H3
InChIKeyTZFJWDJXJIPILS-UHFFFAOYSA-N
XLogP-0.05
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(dihydroxyamino)oxypentanoate
CID 88938889
ethyl 3-carbamoyloxypropanoate
CID 175485814
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 3-[hydroxy(oxido)amino]propanoate
CID 163126069
(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dihydroxyamino)oxypropanoate?
The IUPAC name of ethyl 3-(dihydroxyamino)oxypropanoate (CID 88938903) is ethyl 3-(dihydroxyamino)oxypropanoate.
What is the SMILES notation for ethyl 3-(dihydroxyamino)oxypropanoate?
The canonical SMILES for ethyl 3-(dihydroxyamino)oxypropanoate is CCOC(=O)CCON(O)O.
What is the InChIKey of ethyl 3-(dihydroxyamino)oxypropanoate?
The InChIKey is TZFJWDJXJIPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5/c1-2-10-5(7)3-4-11-6(8)9/h8-9H,2-4H2,1H3.
What are the key properties of ethyl 3-(dihydroxyamino)oxypropanoate?
ethyl 3-(dihydroxyamino)oxypropanoate has a molecular weight of 165.14 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dihydroxyamino)oxypropanoate is sourced from PubChem (CID 88938903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).