6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid

C12H25N3O6 — CID 89081486

IUPAC6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid
SMILESNCCCCC(NC(=O)CCCCCON(O)O)C(=O)O
InChIInChI=1S/C12H25N3O6/c13-8-4-3-6-10(12(17)18)14-11(16)7-2-1-5-9-21-15(19)20/h10,19-20H,1-9,13H2,(H,14,16)(H,17,18)
InChIKeyOUNGAZHLVKOKSX-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.26
Rot. Bonds13

About 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid

6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid (PubChem CID 89081486) has the molecular formula C12H25N3O6 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid
PubChem CID89081486
Molecular FormulaC12H25N3O6
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC Name6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid
SMILESNCCCCC(NC(=O)CCCCCON(O)O)C(=O)O
InChIInChI=1S/C12H25N3O6/c13-8-4-3-6-10(12(17)18)14-11(16)7-2-1-5-9-21-15(19)20/h10,19-20H,1-9,13H2,(H,14,16)(H,17,18)
InChIKeyOUNGAZHLVKOKSX-UHFFFAOYSA-N
XLogP0.26
TPSA145.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
6-amino-2-[3-(dihydroxyamino)oxypropoxycarbonylamino]hexanoic acid
CID 89081480
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
(2S)-6-amino-2-(6-bromohexanoylamino)hexanoic acid
CID 155319942
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid (CID 89081486) is 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid is NCCCCC(NC(=O)CCCCCON(O)O)C(=O)O.
What is the InChIKey of 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid?
The InChIKey is OUNGAZHLVKOKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O6/c13-8-4-3-6-10(12(17)18)14-11(16)7-2-1-5-9-21-15(19)20/h10,19-20H,1-9,13H2,(H,14,16)(H,17,18).
What are the key properties of 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid?
6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid has a molecular weight of 307.35 g/mol, XLogP of 0.26, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[6-(dihydroxyamino)oxyhexanoylamino]hexanoic acid is sourced from PubChem (CID 89081486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).