azane;hexanedioic acid

C6H16N2O4 — CID 14323449

IUPACazane;hexanedioic acid
SMILESN.N.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3
InChIKeyZRSKSQHEOZFGLJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.04
Rot. Bonds5

About azane;hexanedioic acid

azane;hexanedioic acid (PubChem CID 14323449) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is azane;hexanedioic acid.

Molecular Properties

Compound Nameazane;hexanedioic acid
PubChem CID14323449
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Nameazane;hexanedioic acid
SMILESN.N.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3
InChIKeyZRSKSQHEOZFGLJ-UHFFFAOYSA-N
XLogP1.04
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze azane;hexanedioic 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

azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
azane;bis(pentanedioic acid)
CID 138524332
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of azane;hexanedioic acid?
The IUPAC name of azane;hexanedioic acid (CID 14323449) is azane;hexanedioic acid.
What is the SMILES notation for azane;hexanedioic acid?
The canonical SMILES for azane;hexanedioic acid is N.N.O=C(O)CCCCC(=O)O.
What is the InChIKey of azane;hexanedioic acid?
The InChIKey is ZRSKSQHEOZFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3.
What are the key properties of azane;hexanedioic acid?
azane;hexanedioic acid has a molecular weight of 180.20 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexanedioic acid is sourced from PubChem (CID 14323449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).