(2S)-2-(methyldiazenyl)pentanedioic acid

C6H10N2O4 — CID 141487239

IUPAC(2S)-2-(methyldiazenyl)pentanedioic acid
SMILESC/N=N/[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-7-8-4(6(11)12)2-3-5(9)10/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/b8-7+/t4-/m0/s1
InChIKeyQCFVPBZBIBAFQC-OWRQZNHBSA-N
MW174.16 g/mol
LogP0.39
Rot. Bonds5

About (2S)-2-(methyldiazenyl)pentanedioic acid

(2S)-2-(methyldiazenyl)pentanedioic acid (PubChem CID 141487239) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2S)-2-(methyldiazenyl)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(methyldiazenyl)pentanedioic acid
PubChem CID141487239
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2S)-2-(methyldiazenyl)pentanedioic acid
SMILESC/N=N/[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-7-8-4(6(11)12)2-3-5(9)10/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/b8-7+/t4-/m0/s1
InChIKeyQCFVPBZBIBAFQC-OWRQZNHBSA-N
XLogP0.39
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

2-diazenylpentanedioic acid;hydrochloride
CID 21121931
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;(2S)-2-(diaminomethylideneamino)pentanedioic acid
CID 87175217
4-aminopentanoic acid;ethane
CID 143436801
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
CID 118303517
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
calcium;hydride;2-methylpentanedioic acid
CID 173414295
sodium;2-chloropentanedioic acid;hydride
CID 173293436
potassium (E)-N-[(1S)-1,3-dicarboxypropyl]hept-4-enimidate
CID 101284916
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
(2S)-2-sulfanylpentanedioic acid
CID 87305291
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methyldiazenyl)pentanedioic acid?
The IUPAC name of (2S)-2-(methyldiazenyl)pentanedioic acid (CID 141487239) is (2S)-2-(methyldiazenyl)pentanedioic acid.
What is the SMILES notation for (2S)-2-(methyldiazenyl)pentanedioic acid?
The canonical SMILES for (2S)-2-(methyldiazenyl)pentanedioic acid is C/N=N/[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(methyldiazenyl)pentanedioic acid?
The InChIKey is QCFVPBZBIBAFQC-OWRQZNHBSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-7-8-4(6(11)12)2-3-5(9)10/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/b8-7+/t4-/m0/s1.
What are the key properties of (2S)-2-(methyldiazenyl)pentanedioic acid?
(2S)-2-(methyldiazenyl)pentanedioic acid has a molecular weight of 174.16 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methyldiazenyl)pentanedioic acid is sourced from PubChem (CID 141487239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).