(2S)-2-amino-6-(aminodiazenyl)hexanoic acid

C6H14N4O2 — CID 130351235

IUPAC(2S)-2-amino-6-(aminodiazenyl)hexanoic acid
SMILESN/N=N/CCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H2,8,9)(H,11,12)/t5-/m0/s1
InChIKeyAVKBGSALGFVKKM-YFKPBYRVSA-N
MW174.20 g/mol
LogP-0.11
Rot. Bonds6

About (2S)-2-amino-6-(aminodiazenyl)hexanoic acid

(2S)-2-amino-6-(aminodiazenyl)hexanoic acid (PubChem CID 130351235) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-6-(aminodiazenyl)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(aminodiazenyl)hexanoic acid
PubChem CID130351235
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name(2S)-2-amino-6-(aminodiazenyl)hexanoic acid
SMILESN/N=N/CCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H2,8,9)(H,11,12)/t5-/m0/s1
InChIKeyAVKBGSALGFVKKM-YFKPBYRVSA-N
XLogP-0.11
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,10,10-triaminodecanoic acid
CID 141091504
CID 59325926
CID 59325926
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(aminodiazenyl)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(aminodiazenyl)hexanoic acid (CID 130351235) is (2S)-2-amino-6-(aminodiazenyl)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(aminodiazenyl)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(aminodiazenyl)hexanoic acid is N/N=N/CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(aminodiazenyl)hexanoic acid?
The InChIKey is AVKBGSALGFVKKM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H2,8,9)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-6-(aminodiazenyl)hexanoic acid?
(2S)-2-amino-6-(aminodiazenyl)hexanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(aminodiazenyl)hexanoic acid is sourced from PubChem (CID 130351235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).