5-(dihydroxyamino)oxypentanoyl chloride

C5H10ClNO4 — CID 88560100

IUPAC5-(dihydroxyamino)oxypentanoyl chloride
SMILESO=C(Cl)CCCCON(O)O
InChIInChI=1S/C5H10ClNO4/c6-5(8)3-1-2-4-11-7(9)10/h9-10H,1-4H2
InChIKeyJBSOQDDMUBXHLA-UHFFFAOYSA-N
MW183.59 g/mol
LogP0.93
Rot. Bonds6

About 5-(dihydroxyamino)oxypentanoyl chloride

5-(dihydroxyamino)oxypentanoyl chloride (PubChem CID 88560100) has the molecular formula C5H10ClNO4 and a molecular weight of 183.59 g/mol. Its IUPAC name is 5-(dihydroxyamino)oxypentanoyl chloride.

Molecular Properties

Compound Name5-(dihydroxyamino)oxypentanoyl chloride
PubChem CID88560100
Molecular FormulaC5H10ClNO4
Molecular Weight183.59 g/mol
Exact Mass183.03
IUPAC Name5-(dihydroxyamino)oxypentanoyl chloride
SMILESO=C(Cl)CCCCON(O)O
InChIInChI=1S/C5H10ClNO4/c6-5(8)3-1-2-4-11-7(9)10/h9-10H,1-4H2
InChIKeyJBSOQDDMUBXHLA-UHFFFAOYSA-N
XLogP0.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(dihydroxyamino)oxypentanoyl chloride 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

11-(dihydroxyamino)oxyundecanoic acid
CID 88938891
4-(dihydroxyamino)oxybutyl carbonochloridate
CID 89030759
1,5-bis[(dihydroxyamino)oxy]pentane
CID 88559979
ethyl 5-(dihydroxyamino)oxypentanoate
CID 88938889
4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
CID 163842692
6-hydroxyhexanoyl chloride
CID 87077852
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
5-iodopentanoyl chloride
CID 15337131
4-(7-methoxyheptoxy)butanoyl chloride
CID 15383030
3-[4-(dihydroxyamino)oxybutanoylamino]propanoic acid
CID 89081489
nonadecanoyl chloride
CID 4250939

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxyamino)oxypentanoyl chloride?
The IUPAC name of 5-(dihydroxyamino)oxypentanoyl chloride (CID 88560100) is 5-(dihydroxyamino)oxypentanoyl chloride.
What is the SMILES notation for 5-(dihydroxyamino)oxypentanoyl chloride?
The canonical SMILES for 5-(dihydroxyamino)oxypentanoyl chloride is O=C(Cl)CCCCON(O)O.
What is the InChIKey of 5-(dihydroxyamino)oxypentanoyl chloride?
The InChIKey is JBSOQDDMUBXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4/c6-5(8)3-1-2-4-11-7(9)10/h9-10H,1-4H2.
What are the key properties of 5-(dihydroxyamino)oxypentanoyl chloride?
5-(dihydroxyamino)oxypentanoyl chloride has a molecular weight of 183.59 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxyamino)oxypentanoyl chloride is sourced from PubChem (CID 88560100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).