2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate

C13H27N3O13S — CID 89081216

IUPAC2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate
SMILESNC(COC(=O)OCCOCCON(O)O)CSC(=O)OCCOCCON(O)O
InChIInChI=1S/C13H27N3O13S/c14-11(9-27-12(17)25-5-1-23-3-7-28-15(19)20)10-30-13(18)26-6-2-24-4-8-29-16(21)22/h11,19-22H,1-10,14H2
InChIKeyZVMRUQBTYMOMKG-UHFFFAOYSA-N
MW465.43 g/mol
LogP-0.61
Rot. Bonds18

About 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate

2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate (PubChem CID 89081216) has the molecular formula C13H27N3O13S and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate.

Molecular Properties

Compound Name2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate
PubChem CID89081216
Molecular FormulaC13H27N3O13S
Molecular Weight465.43 g/mol
Exact Mass465.13
IUPAC Name2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate
SMILESNC(COC(=O)OCCOCCON(O)O)CSC(=O)OCCOCCON(O)O
InChIInChI=1S/C13H27N3O13S/c14-11(9-27-12(17)25-5-1-23-3-7-28-15(19)20)10-30-13(18)26-6-2-24-4-8-29-16(21)22/h11,19-22H,1-10,14H2
InChIKeyZVMRUQBTYMOMKG-UHFFFAOYSA-N
XLogP-0.61
TPSA212.17 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate 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

4-(dihydroxyamino)oxybutyl 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylsulfanyl]propanoate
CID 89081425
3-amino-4-[2-[2-(dihydroxyamino)oxyethoxy]ethoxy]-4-oxobutanoic acid
CID 89081234
(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid
CID 87267507
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104
2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid
CID 89255193
[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
CID 123878307
chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
CID 170335305
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate?
The IUPAC name of 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate (CID 89081216) is 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate.
What is the SMILES notation for 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate?
The canonical SMILES for 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate is NC(COC(=O)OCCOCCON(O)O)CSC(=O)OCCOCCON(O)O.
What is the InChIKey of 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate?
The InChIKey is ZVMRUQBTYMOMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O13S/c14-11(9-27-12(17)25-5-1-23-3-7-28-15(19)20)10-30-13(18)26-6-2-24-4-8-29-16(21)22/h11,19-22H,1-10,14H2.
What are the key properties of 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate?
2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate has a molecular weight of 465.43 g/mol, XLogP of -0.61, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dihydroxyamino)oxyethoxy]ethyl [2-amino-3-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonyloxy]propyl]sulfanylformate is sourced from PubChem (CID 89081216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).