4,6-diamino-3,5-dihydroxyhexan-2-one

C6H14N2O3 — CID 134382190

IUPAC4,6-diamino-3,5-dihydroxyhexan-2-one
SMILESCC(=O)C(O)C(N)C(O)CN
InChIInChI=1S/C6H14N2O3/c1-3(9)6(11)5(8)4(10)2-7/h4-6,10-11H,2,7-8H2,1H3
InChIKeyKHGCULUIHSJCTJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP-2.42
Rot. Bonds4

About 4,6-diamino-3,5-dihydroxyhexan-2-one

4,6-diamino-3,5-dihydroxyhexan-2-one (PubChem CID 134382190) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4,6-diamino-3,5-dihydroxyhexan-2-one.

Molecular Properties

Compound Name4,6-diamino-3,5-dihydroxyhexan-2-one
PubChem CID134382190
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name4,6-diamino-3,5-dihydroxyhexan-2-one
SMILESCC(=O)C(O)C(N)C(O)CN
InChIInChI=1S/C6H14N2O3/c1-3(9)6(11)5(8)4(10)2-7/h4-6,10-11H,2,7-8H2,1H3
InChIKeyKHGCULUIHSJCTJ-UHFFFAOYSA-N
XLogP-2.42
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-hydroxybutan-2-one
CID 22025309
(3R,4R)-4-amino-3-hydroxypentan-2-one
CID 59046379
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
1,3,4,5,6-pentaaminohexan-2-ol
CID 57100316
CID 173365109
CID 173365109
acetamide;2-aminoethane-1,1-diol
CID 174289451
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
4-amino-3-hydroxybutan-2-one;molecular hydrogen
CID 144542885
pentane-2,4-dione;propane-1,2-diamine
CID 88814334
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
6-amino-3-methylheptan-2-one
CID 171808053
1,1,3,5,7-pentaaminoheptane-2,4,6-triol
CID 121458947

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-3,5-dihydroxyhexan-2-one?
The IUPAC name of 4,6-diamino-3,5-dihydroxyhexan-2-one (CID 134382190) is 4,6-diamino-3,5-dihydroxyhexan-2-one.
What is the SMILES notation for 4,6-diamino-3,5-dihydroxyhexan-2-one?
The canonical SMILES for 4,6-diamino-3,5-dihydroxyhexan-2-one is CC(=O)C(O)C(N)C(O)CN.
What is the InChIKey of 4,6-diamino-3,5-dihydroxyhexan-2-one?
The InChIKey is KHGCULUIHSJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-3(9)6(11)5(8)4(10)2-7/h4-6,10-11H,2,7-8H2,1H3.
What are the key properties of 4,6-diamino-3,5-dihydroxyhexan-2-one?
4,6-diamino-3,5-dihydroxyhexan-2-one has a molecular weight of 162.19 g/mol, XLogP of -2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-3,5-dihydroxyhexan-2-one is sourced from PubChem (CID 134382190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).