2,6-diamino-2,4-dihydroxyhexanoic acid

C6H14N2O4 — CID 171058574

IUPAC2,6-diamino-2,4-dihydroxyhexanoic acid
SMILESNCCC(O)CC(N)(O)C(=O)O
InChIInChI=1S/C6H14N2O4/c7-2-1-4(9)3-6(8,12)5(10)11/h4,9,12H,1-3,7-8H2,(H,10,11)
InChIKeyDXFUFVXDEYRZMR-UHFFFAOYSA-N
MW178.19 g/mol
LogP-2.18
Rot. Bonds5

About 2,6-diamino-2,4-dihydroxyhexanoic acid

2,6-diamino-2,4-dihydroxyhexanoic acid (PubChem CID 171058574) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,6-diamino-2,4-dihydroxyhexanoic acid.

Molecular Properties

Compound Name2,6-diamino-2,4-dihydroxyhexanoic acid
PubChem CID171058574
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2,6-diamino-2,4-dihydroxyhexanoic acid
SMILESNCCC(O)CC(N)(O)C(=O)O
InChIInChI=1S/C6H14N2O4/c7-2-1-4(9)3-6(8,12)5(10)11/h4,9,12H,1-3,7-8H2,(H,10,11)
InChIKeyDXFUFVXDEYRZMR-UHFFFAOYSA-N
XLogP-2.18
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-diaminohexane-2,4-diol
CID 90758959
2-amino-2-hydroxybutanedioic acid
CID 10313218
5-amino-2,3-dihydroxy-2-methylpentanoic acid
CID 175482621
1-amino-5-methylhexan-3-ol;2,2,2-trifluoroacetic acid
CID 139349054
2,4-diaminobutanoic acid
CID 158725018
bis((2S)-4-aminobutane-1,2-diol);sulfuric acid
CID 71422701
(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175211977
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
4-aminobutane-1,2-diol;ethane;terbium
CID 153386909
(2S)-4-amino-1-sulfanylbutan-2-ol
CID 146535668

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2,4-dihydroxyhexanoic acid?
The IUPAC name of 2,6-diamino-2,4-dihydroxyhexanoic acid (CID 171058574) is 2,6-diamino-2,4-dihydroxyhexanoic acid.
What is the SMILES notation for 2,6-diamino-2,4-dihydroxyhexanoic acid?
The canonical SMILES for 2,6-diamino-2,4-dihydroxyhexanoic acid is NCCC(O)CC(N)(O)C(=O)O.
What is the InChIKey of 2,6-diamino-2,4-dihydroxyhexanoic acid?
The InChIKey is DXFUFVXDEYRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c7-2-1-4(9)3-6(8,12)5(10)11/h4,9,12H,1-3,7-8H2,(H,10,11).
What are the key properties of 2,6-diamino-2,4-dihydroxyhexanoic acid?
2,6-diamino-2,4-dihydroxyhexanoic acid has a molecular weight of 178.19 g/mol, XLogP of -2.18, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-2,4-dihydroxyhexanoic acid is sourced from PubChem (CID 171058574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).