(2S,3S)-1,4-bis(methylamino)butane-2,3-diol

C6H16N2O2 — CID 100939749

IUPAC(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
SMILESCNC[C@H](O)[C@@H](O)CNC
InChIInChI=1S/C6H16N2O2/c1-7-3-5(9)6(10)4-8-2/h5-10H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyNJNCBENAMPCVJY-WDSKDSINSA-N
MW148.21 g/mol
LogP-1.85
Rot. Bonds5

About (2S,3S)-1,4-bis(methylamino)butane-2,3-diol

(2S,3S)-1,4-bis(methylamino)butane-2,3-diol (PubChem CID 100939749) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2S,3S)-1,4-bis(methylamino)butane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
PubChem CID100939749
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
SMILESCNC[C@H](O)[C@@H](O)CNC
InChIInChI=1S/C6H16N2O2/c1-7-3-5(9)6(10)4-8-2/h5-10H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyNJNCBENAMPCVJY-WDSKDSINSA-N
XLogP-1.85
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
CID 174001748
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
(2S,3R,4S,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104696
(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 54087327
(3R)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 59946423
calcium;hydride;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 173199422
hydrazine;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 161070671
azane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;hydrate
CID 172742927

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis(methylamino)butane-2,3-diol?
The IUPAC name of (2S,3S)-1,4-bis(methylamino)butane-2,3-diol (CID 100939749) is (2S,3S)-1,4-bis(methylamino)butane-2,3-diol.
What is the SMILES notation for (2S,3S)-1,4-bis(methylamino)butane-2,3-diol?
The canonical SMILES for (2S,3S)-1,4-bis(methylamino)butane-2,3-diol is CNC[C@H](O)[C@@H](O)CNC.
What is the InChIKey of (2S,3S)-1,4-bis(methylamino)butane-2,3-diol?
The InChIKey is NJNCBENAMPCVJY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-7-3-5(9)6(10)4-8-2/h5-10H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-1,4-bis(methylamino)butane-2,3-diol?
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol has a molecular weight of 148.21 g/mol, XLogP of -1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis(methylamino)butane-2,3-diol is sourced from PubChem (CID 100939749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).