(2S)-2,6-diazidohexanoic acid

C6H10N6O2 — CID 101430733

IUPAC(2S)-2,6-diazidohexanoic acid
SMILES[N-]=[N+]=NCCCC[C@H](N=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H10N6O2/c7-11-9-4-2-1-3-5(6(13)14)10-12-8/h5H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyWBDHJLJZJBUUAM-YFKPBYRVSA-N
MW198.19 g/mol
LogP2.23
Rot. Bonds7

About (2S)-2,6-diazidohexanoic acid

(2S)-2,6-diazidohexanoic acid (PubChem CID 101430733) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is (2S)-2,6-diazidohexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diazidohexanoic acid
PubChem CID101430733
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name(2S)-2,6-diazidohexanoic acid
SMILES[N-]=[N+]=NCCCC[C@H](N=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H10N6O2/c7-11-9-4-2-1-3-5(6(13)14)10-12-8/h5H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyWBDHJLJZJBUUAM-YFKPBYRVSA-N
XLogP2.23
TPSA134.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azidoheptanoic acid
CID 122577491
(2R)-2-azido-6-bromohexanoic acid
CID 11064392
(2S)-2-azido-7-bromoheptanoic acid
CID 11010362
2-azido-7-ethoxy-7-oxoheptanoic acid
CID 139368374
2-azido-3-hydroxypropanoic acid
CID 54415353
(2S)-3-amino-2-azidopropanoic acid
CID 11579126
ethyl (2S)-6-azido-2-isocyanatohexanoate
CID 158679122
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-2-amino-12-azido-8-oxododecanoic acid
CID 157429021
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
2-azidopent-4-enoic acid
CID 77132005
8-azido-4-(2,2-dimethylpropyl)-2,2-dimethyloctan-3-one
CID 146777292

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diazidohexanoic acid?
The IUPAC name of (2S)-2,6-diazidohexanoic acid (CID 101430733) is (2S)-2,6-diazidohexanoic acid.
What is the SMILES notation for (2S)-2,6-diazidohexanoic acid?
The canonical SMILES for (2S)-2,6-diazidohexanoic acid is [N-]=[N+]=NCCCC[C@H](N=[N+]=[N-])C(=O)O.
What is the InChIKey of (2S)-2,6-diazidohexanoic acid?
The InChIKey is WBDHJLJZJBUUAM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N6O2/c7-11-9-4-2-1-3-5(6(13)14)10-12-8/h5H,1-4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2,6-diazidohexanoic acid?
(2S)-2,6-diazidohexanoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diazidohexanoic acid is sourced from PubChem (CID 101430733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).