azane;tridecanedioic acid

C13H30N2O4 — CID 174979532

IUPACazane;tridecanedioic acid
SMILESN.N.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.2H3N/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;;/h1-11H2,(H,14,15)(H,16,17);2*1H3
InChIKeyUFQFRLHKBDQJMI-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.77
Rot. Bonds12

About azane;tridecanedioic acid

azane;tridecanedioic acid (PubChem CID 174979532) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is azane;tridecanedioic acid.

Molecular Properties

Compound Nameazane;tridecanedioic acid
PubChem CID174979532
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Nameazane;tridecanedioic acid
SMILESN.N.O=C(O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O4.2H3N/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;;/h1-11H2,(H,14,15)(H,16,17);2*1H3
InChIKeyUFQFRLHKBDQJMI-UHFFFAOYSA-N
XLogP3.77
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of azane;tridecanedioic acid?
The IUPAC name of azane;tridecanedioic acid (CID 174979532) is azane;tridecanedioic acid.
What is the SMILES notation for azane;tridecanedioic acid?
The canonical SMILES for azane;tridecanedioic acid is N.N.O=C(O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of azane;tridecanedioic acid?
The InChIKey is UFQFRLHKBDQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.2H3N/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17;;/h1-11H2,(H,14,15)(H,16,17);2*1H3.
What are the key properties of azane;tridecanedioic acid?
azane;tridecanedioic acid has a molecular weight of 278.39 g/mol, XLogP of 3.77, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tridecanedioic acid is sourced from PubChem (CID 174979532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).