(2S,3R)-2-(methylamino)butane-1,3-diol

C5H13NO2 — CID 59886106

IUPAC(2S,3R)-2-(methylamino)butane-1,3-diol
SMILESCN[C@@H](CO)[C@@H](C)O
InChIInChI=1S/C5H13NO2/c1-4(8)5(3-7)6-2/h4-8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyWVHGVRHEBRYJRN-UHNVWZDZSA-N
MW119.16 g/mol
LogP-1.05
Rot. Bonds3

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

(2S,3R)-2-(methylamino)butane-1,3-diol (PubChem CID 59886106) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S,3R)-2-(methylamino)butane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-(methylamino)butane-1,3-diol
PubChem CID59886106
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S,3R)-2-(methylamino)butane-1,3-diol
SMILESCN[C@@H](CO)[C@@H](C)O
InChIInChI=1S/C5H13NO2/c1-4(8)5(3-7)6-2/h4-8H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyWVHGVRHEBRYJRN-UHNVWZDZSA-N
XLogP-1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
2-(methylamino)propane-1,1,3-triol
CID 175078903
2-(hydroxyamino)butane-1,3-diol
CID 54575342
2-(1-hydroxyethylamino)butane-1,3-diol
CID 88937689
1,3,4-tris(methylamino)pentane-1,5-diol
CID 174713923
2-(methylamino)pentane-1,3-diol;hydrobromide
CID 174751065
3-(methylamino)octan-2-ol
CID 166770320
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
CID 89196586
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
(2S)-2-(methylamino)propan-1-ol;hydrochloride
CID 46942002
2-(methylamino)propan-1-ol;hydrochloride
CID 75245213
methane;2-(methylamino)propan-1-ol
CID 158331207

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methylamino)butane-1,3-diol?
The IUPAC name of (2S,3R)-2-(methylamino)butane-1,3-diol (CID 59886106) is (2S,3R)-2-(methylamino)butane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-(methylamino)butane-1,3-diol?
The canonical SMILES for (2S,3R)-2-(methylamino)butane-1,3-diol is CN[C@@H](CO)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-(methylamino)butane-1,3-diol?
The InChIKey is WVHGVRHEBRYJRN-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(8)5(3-7)6-2/h4-8H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-(methylamino)butane-1,3-diol?
(2S,3R)-2-(methylamino)butane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methylamino)butane-1,3-diol is sourced from PubChem (CID 59886106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).