2-diazenylpentanedioic acid;hydrochloride

C5H9ClN2O4 — CID 21121931

IUPAC2-diazenylpentanedioic acid;hydrochloride
SMILESCl.[H]/N=N/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H8N2O4.ClH/c6-7-3(5(10)11)1-2-4(8)9;/h3,6H,1-2H2,(H,8,9)(H,10,11);1H/b7-6+;
InChIKeyAPOXANXEQSGZLV-UHDJGPCESA-N
MW196.59 g/mol
LogP0.76
Rot. Bonds5

About 2-diazenylpentanedioic acid;hydrochloride

2-diazenylpentanedioic acid;hydrochloride (PubChem CID 21121931) has the molecular formula C5H9ClN2O4 and a molecular weight of 196.59 g/mol. Its IUPAC name is 2-diazenylpentanedioic acid;hydrochloride.

Molecular Properties

Compound Name2-diazenylpentanedioic acid;hydrochloride
PubChem CID21121931
Molecular FormulaC5H9ClN2O4
Molecular Weight196.59 g/mol
Exact Mass196.03
IUPAC Name2-diazenylpentanedioic acid;hydrochloride
SMILESCl.[H]/N=N/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H8N2O4.ClH/c6-7-3(5(10)11)1-2-4(8)9;/h3,6H,1-2H2,(H,8,9)(H,10,11);1H/b7-6+;
InChIKeyAPOXANXEQSGZLV-UHDJGPCESA-N
XLogP0.76
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methyldiazenyl)pentanedioic acid
CID 141487239
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;(2S)-2-(diaminomethylideneamino)pentanedioic acid
CID 87175217
5-imino-4-methylhexanoic acid
CID 123554623
butanedioic acid;hydrochloride
CID 87113713
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
(2S)-2-sulfanylpentanedioic acid
CID 87305291
2-aminopentanedioic acid
CID 611
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843

Frequently Asked Questions

What is the IUPAC name of 2-diazenylpentanedioic acid;hydrochloride?
The IUPAC name of 2-diazenylpentanedioic acid;hydrochloride (CID 21121931) is 2-diazenylpentanedioic acid;hydrochloride.
What is the SMILES notation for 2-diazenylpentanedioic acid;hydrochloride?
The canonical SMILES for 2-diazenylpentanedioic acid;hydrochloride is Cl.[H]/N=N/C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-diazenylpentanedioic acid;hydrochloride?
The InChIKey is APOXANXEQSGZLV-UHDJGPCESA-N. The full InChI is InChI=1S/C5H8N2O4.ClH/c6-7-3(5(10)11)1-2-4(8)9;/h3,6H,1-2H2,(H,8,9)(H,10,11);1H/b7-6+;.
What are the key properties of 2-diazenylpentanedioic acid;hydrochloride?
2-diazenylpentanedioic acid;hydrochloride has a molecular weight of 196.59 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylpentanedioic acid;hydrochloride is sourced from PubChem (CID 21121931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).