4-(dihydroxyamino)oxybutyl carbonochloridate

C5H10ClNO5 — CID 89030759

IUPAC4-(dihydroxyamino)oxybutyl carbonochloridate
SMILESO=C(Cl)OCCCCON(O)O
InChIInChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h9-10H,1-4H2
InChIKeyQGMZZDKXMLUDMP-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.15
Rot. Bonds6

About 4-(dihydroxyamino)oxybutyl carbonochloridate

4-(dihydroxyamino)oxybutyl carbonochloridate (PubChem CID 89030759) has the molecular formula C5H10ClNO5 and a molecular weight of 199.59 g/mol. Its IUPAC name is 4-(dihydroxyamino)oxybutyl carbonochloridate.

Molecular Properties

Compound Name4-(dihydroxyamino)oxybutyl carbonochloridate
PubChem CID89030759
Molecular FormulaC5H10ClNO5
Molecular Weight199.59 g/mol
Exact Mass199.02
IUPAC Name4-(dihydroxyamino)oxybutyl carbonochloridate
SMILESO=C(Cl)OCCCCON(O)O
InChIInChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h9-10H,1-4H2
InChIKeyQGMZZDKXMLUDMP-UHFFFAOYSA-N
XLogP1.15
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(dihydroxyamino)oxybutyl carbonochloridate 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

5-(dihydroxyamino)oxypentanoyl chloride
CID 88560100
1,5-bis[(dihydroxyamino)oxy]pentane
CID 88559979
nonadecyl carbonochloridate
CID 20513602
henicosyl carbonochloridate
CID 14150828
11-(dihydroxyamino)oxyundecanoic acid
CID 88938891
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
ethyl 5-(dihydroxyamino)oxypentanoate
CID 88938889
hexadec-15-enyl carbonochloridate
CID 139984771
1-carbonochloridoyloxy-4-[hydroxy(oxido)azaniumyl]oxybutane
CID 59868655
3-(dihydroxyamino)oxypropyl 2-amino-3-hydroxybutanoate
CID 89081551
3-methylsulfanylpropyl carbonochloridate
CID 131162279
4-[di(propan-2-yl)amino]butyl carbonochloridate;formic acid
CID 159687836

Frequently Asked Questions

What is the IUPAC name of 4-(dihydroxyamino)oxybutyl carbonochloridate?
The IUPAC name of 4-(dihydroxyamino)oxybutyl carbonochloridate (CID 89030759) is 4-(dihydroxyamino)oxybutyl carbonochloridate.
What is the SMILES notation for 4-(dihydroxyamino)oxybutyl carbonochloridate?
The canonical SMILES for 4-(dihydroxyamino)oxybutyl carbonochloridate is O=C(Cl)OCCCCON(O)O.
What is the InChIKey of 4-(dihydroxyamino)oxybutyl carbonochloridate?
The InChIKey is QGMZZDKXMLUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO5/c6-5(8)11-3-1-2-4-12-7(9)10/h9-10H,1-4H2.
What are the key properties of 4-(dihydroxyamino)oxybutyl carbonochloridate?
4-(dihydroxyamino)oxybutyl carbonochloridate has a molecular weight of 199.59 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihydroxyamino)oxybutyl carbonochloridate is sourced from PubChem (CID 89030759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).