azane;6-formyloxy-6-oxohexanoic acid

C7H16N2O5 — CID 174509608

IUPACazane;6-formyloxy-6-oxohexanoic acid
SMILESN.N.O=COC(=O)CCCCC(=O)O
InChIInChI=1S/C7H10O5.2H3N/c8-5-12-7(11)4-2-1-3-6(9)10;;/h5H,1-4H2,(H,9,10);2*1H3
InChIKeyANWFISRVEMSQAN-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.65
Rot. Bonds6

About azane;6-formyloxy-6-oxohexanoic acid

azane;6-formyloxy-6-oxohexanoic acid (PubChem CID 174509608) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is azane;6-formyloxy-6-oxohexanoic acid.

Molecular Properties

Compound Nameazane;6-formyloxy-6-oxohexanoic acid
PubChem CID174509608
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Nameazane;6-formyloxy-6-oxohexanoic acid
SMILESN.N.O=COC(=O)CCCCC(=O)O
InChIInChI=1S/C7H10O5.2H3N/c8-5-12-7(11)4-2-1-3-6(9)10;;/h5H,1-4H2,(H,9,10);2*1H3
InChIKeyANWFISRVEMSQAN-UHFFFAOYSA-N
XLogP0.65
TPSA150.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze azane;6-formyloxy-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

diformyl octanedioate
CID 22123750
diformyl dodecanedioate
CID 57224405
diformyl pentanedioate
CID 57199083
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
formyl heptanoate
CID 57242473
azane;hexanedioic acid
CID 14323449
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
CID 173386370
potassium;formyl dodecanoate;hydride
CID 173298306
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
azane;tridecanedioic acid
CID 174979532

Frequently Asked Questions

What is the IUPAC name of azane;6-formyloxy-6-oxohexanoic acid?
The IUPAC name of azane;6-formyloxy-6-oxohexanoic acid (CID 174509608) is azane;6-formyloxy-6-oxohexanoic acid.
What is the SMILES notation for azane;6-formyloxy-6-oxohexanoic acid?
The canonical SMILES for azane;6-formyloxy-6-oxohexanoic acid is N.N.O=COC(=O)CCCCC(=O)O.
What is the InChIKey of azane;6-formyloxy-6-oxohexanoic acid?
The InChIKey is ANWFISRVEMSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.2H3N/c8-5-12-7(11)4-2-1-3-6(9)10;;/h5H,1-4H2,(H,9,10);2*1H3.
What are the key properties of azane;6-formyloxy-6-oxohexanoic acid?
azane;6-formyloxy-6-oxohexanoic acid has a molecular weight of 208.21 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-formyloxy-6-oxohexanoic acid is sourced from PubChem (CID 174509608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).