ethyl 5-(dihydroxyamino)oxypentanoate

C7H15NO5 — CID 88938889

IUPACethyl 5-(dihydroxyamino)oxypentanoate
SMILESCCOC(=O)CCCCON(O)O
InChIInChI=1S/C7H15NO5/c1-2-12-7(9)5-3-4-6-13-8(10)11/h10-11H,2-6H2,1H3
InChIKeyBFRQKYOQLDQREH-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.73
Rot. Bonds7

About ethyl 5-(dihydroxyamino)oxypentanoate

ethyl 5-(dihydroxyamino)oxypentanoate (PubChem CID 88938889) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 5-(dihydroxyamino)oxypentanoate.

Molecular Properties

Compound Nameethyl 5-(dihydroxyamino)oxypentanoate
PubChem CID88938889
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Nameethyl 5-(dihydroxyamino)oxypentanoate
SMILESCCOC(=O)CCCCON(O)O
InChIInChI=1S/C7H15NO5/c1-2-12-7(9)5-3-4-6-13-8(10)11/h10-11H,2-6H2,1H3
InChIKeyBFRQKYOQLDQREH-UHFFFAOYSA-N
XLogP0.73
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-(dihydroxyamino)oxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(dihydroxyamino)oxypropanoate
CID 88938903
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 5-methoxypentanoate
CID 21476247
ethyl 6-aminooxyhexanoate
CID 10559164
sodium;diethyl decanedioate;hydride
CID 173076435
6-O-butyl 1-O-ethyl hexanedioate
CID 22057026
ethyl 5-(2-methylpropanoyloxy)pentanoate
CID 156656720
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
ethyl 6-bis(6-ethoxy-6-oxohexoxy)boranyloxyhexanoate
CID 135049216
ethyl 16-butoxyhexadecanoate
CID 56991029
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dihydroxyamino)oxypentanoate?
The IUPAC name of ethyl 5-(dihydroxyamino)oxypentanoate (CID 88938889) is ethyl 5-(dihydroxyamino)oxypentanoate.
What is the SMILES notation for ethyl 5-(dihydroxyamino)oxypentanoate?
The canonical SMILES for ethyl 5-(dihydroxyamino)oxypentanoate is CCOC(=O)CCCCON(O)O.
What is the InChIKey of ethyl 5-(dihydroxyamino)oxypentanoate?
The InChIKey is BFRQKYOQLDQREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-2-12-7(9)5-3-4-6-13-8(10)11/h10-11H,2-6H2,1H3.
What are the key properties of ethyl 5-(dihydroxyamino)oxypentanoate?
ethyl 5-(dihydroxyamino)oxypentanoate has a molecular weight of 193.20 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dihydroxyamino)oxypentanoate is sourced from PubChem (CID 88938889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).