6-amino-2-(2-diazohydrazinyl)hexanoic acid

C6H13N5O2 — CID 19973302

IUPAC6-amino-2-(2-diazohydrazinyl)hexanoic acid
SMILES[N-]=[N+]=NNC(CCCCN)C(=O)O
InChIInChI=1S/C6H13N5O2/c7-4-2-1-3-5(6(12)13)9-11-10-8/h5,9H,1-4,7H2,(H,12,13)
InChIKeyPTXMQRGGKNVOAK-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.38
Rot. Bonds7

About 6-amino-2-(2-diazohydrazinyl)hexanoic acid

6-amino-2-(2-diazohydrazinyl)hexanoic acid (PubChem CID 19973302) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-amino-2-(2-diazohydrazinyl)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(2-diazohydrazinyl)hexanoic acid
PubChem CID19973302
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Name6-amino-2-(2-diazohydrazinyl)hexanoic acid
SMILES[N-]=[N+]=NNC(CCCCN)C(=O)O
InChIInChI=1S/C6H13N5O2/c7-4-2-1-3-5(6(12)13)9-11-10-8/h5,9H,1-4,7H2,(H,12,13)
InChIKeyPTXMQRGGKNVOAK-UHFFFAOYSA-N
XLogP0.38
TPSA124.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-diazohydrazinyl)hexanoic acid
CID 89287539
(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid
CID 175888302
(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
CID 126572367
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
CID 87221819
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
(2S)-6-amino-2-(dihydroxyphosphinothioylamino)hexanoic acid
CID 102122360
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-diazohydrazinyl)hexanoic acid?
The IUPAC name of 6-amino-2-(2-diazohydrazinyl)hexanoic acid (CID 19973302) is 6-amino-2-(2-diazohydrazinyl)hexanoic acid.
What is the SMILES notation for 6-amino-2-(2-diazohydrazinyl)hexanoic acid?
The canonical SMILES for 6-amino-2-(2-diazohydrazinyl)hexanoic acid is [N-]=[N+]=NNC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(2-diazohydrazinyl)hexanoic acid?
The InChIKey is PTXMQRGGKNVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2/c7-4-2-1-3-5(6(12)13)9-11-10-8/h5,9H,1-4,7H2,(H,12,13).
What are the key properties of 6-amino-2-(2-diazohydrazinyl)hexanoic acid?
6-amino-2-(2-diazohydrazinyl)hexanoic acid has a molecular weight of 187.20 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-diazohydrazinyl)hexanoic acid is sourced from PubChem (CID 19973302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).