(2S)-2-amino-5,6-didiazohexanoic acid

C6H9N5O2 — CID 151899976

IUPAC(2S)-2-amino-5,6-didiazohexanoic acid
SMILES[N-]=[N+]=CC(CC[C@H](N)C(=O)O)=[N+]=[N-]
InChIInChI=1S/C6H9N5O2/c7-5(6(12)13)2-1-4(11-9)3-10-8/h3,5H,1-2,7H2,(H,12,13)/t5-/m0/s1
InChIKeySSOFTVXOUWEAIA-YFKPBYRVSA-N
MW183.17 g/mol
LogP-0.85
Rot. Bonds5

About (2S)-2-amino-5,6-didiazohexanoic acid

(2S)-2-amino-5,6-didiazohexanoic acid (PubChem CID 151899976) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is (2S)-2-amino-5,6-didiazohexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,6-didiazohexanoic acid
PubChem CID151899976
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name(2S)-2-amino-5,6-didiazohexanoic acid
SMILES[N-]=[N+]=CC(CC[C@H](N)C(=O)O)=[N+]=[N-]
InChIInChI=1S/C6H9N5O2/c7-5(6(12)13)2-1-4(11-9)3-10-8/h3,5H,1-2,7H2,(H,12,13)/t5-/m0/s1
InChIKeySSOFTVXOUWEAIA-YFKPBYRVSA-N
XLogP-0.85
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-5-(diazomethyl)-6-oxohex-5-enoic acid
CID 141152536
2-amino-5-oxo-5-sulfanylpentanoic acid
CID 71435123
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2R)-2-[[(2S)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoic acid
CID 135474715
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,6-didiazohexanoic acid?
The IUPAC name of (2S)-2-amino-5,6-didiazohexanoic acid (CID 151899976) is (2S)-2-amino-5,6-didiazohexanoic acid.
What is the SMILES notation for (2S)-2-amino-5,6-didiazohexanoic acid?
The canonical SMILES for (2S)-2-amino-5,6-didiazohexanoic acid is [N-]=[N+]=CC(CC[C@H](N)C(=O)O)=[N+]=[N-].
What is the InChIKey of (2S)-2-amino-5,6-didiazohexanoic acid?
The InChIKey is SSOFTVXOUWEAIA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-5(6(12)13)2-1-4(11-9)3-10-8/h3,5H,1-2,7H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5,6-didiazohexanoic acid?
(2S)-2-amino-5,6-didiazohexanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,6-didiazohexanoic acid is sourced from PubChem (CID 151899976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).