azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid

C13H26N2O8 — CID 173386370

IUPACazane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
SMILESN.N.O=C(O)CCCCC(=O)OCOC(=O)CCCCC(=O)O
InChIInChI=1S/C13H20O8.2H3N/c14-10(15)5-1-3-7-12(18)20-9-21-13(19)8-4-2-6-11(16)17;;/h1-9H2,(H,14,15)(H,16,17);2*1H3
InChIKeyRYHAWRXNSMBMQW-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.64
Rot. Bonds12

About azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid

azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid (PubChem CID 173386370) has the molecular formula C13H26N2O8 and a molecular weight of 338.36 g/mol. Its IUPAC name is azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid.

Molecular Properties

Compound Nameazane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
PubChem CID173386370
Molecular FormulaC13H26N2O8
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC Nameazane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
SMILESN.N.O=C(O)CCCCC(=O)OCOC(=O)CCCCC(=O)O
InChIInChI=1S/C13H20O8.2H3N/c14-10(15)5-1-3-7-12(18)20-9-21-13(19)8-4-2-6-11(16)17;;/h1-9H2,(H,14,15)(H,16,17);2*1H3
InChIKeyRYHAWRXNSMBMQW-UHFFFAOYSA-N
XLogP1.64
TPSA197.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid 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

9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
8-oxo-8-(propanoyloxymethoxy)octanoic acid
CID 151773737
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
azane;hexanedioic acid
CID 14323449
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
azane;tridecanedioic acid
CID 174979532

Frequently Asked Questions

What is the IUPAC name of azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid?
The IUPAC name of azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid (CID 173386370) is azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid.
What is the SMILES notation for azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid?
The canonical SMILES for azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid is N.N.O=C(O)CCCCC(=O)OCOC(=O)CCCCC(=O)O.
What is the InChIKey of azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid?
The InChIKey is RYHAWRXNSMBMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O8.2H3N/c14-10(15)5-1-3-7-12(18)20-9-21-13(19)8-4-2-6-11(16)17;;/h1-9H2,(H,14,15)(H,16,17);2*1H3.
What are the key properties of azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid?
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid has a molecular weight of 338.36 g/mol, XLogP of 1.64, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid is sourced from PubChem (CID 173386370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).