(2S)-2-methoxy-3-(methylamino)propan-1-ol

C5H13NO2 — CID 176680341

IUPAC(2S)-2-methoxy-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](CO)OC
InChIInChI=1S/C5H13NO2/c1-6-3-5(4-7)8-2/h5-7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyASFJGOWKUMTYNG-YFKPBYRVSA-N
MW119.16 g/mol
LogP-0.79
Rot. Bonds4

About (2S)-2-methoxy-3-(methylamino)propan-1-ol

(2S)-2-methoxy-3-(methylamino)propan-1-ol (PubChem CID 176680341) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S)-2-methoxy-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methoxy-3-(methylamino)propan-1-ol
PubChem CID176680341
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S)-2-methoxy-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](CO)OC
InChIInChI=1S/C5H13NO2/c1-6-3-5(4-7)8-2/h5-7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyASFJGOWKUMTYNG-YFKPBYRVSA-N
XLogP-0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylamino)propane-1,2-diol
CID 2734122
3-Isopropylamino-1,2-propanediol
CID 110857
(2-Hydroxy-3-methoxypropyl)(methyl)amine
CID 20789163
Morpholin-2-ylmethanol
CID 3497988
1-Aminooxy-3-methylamino-propan-2-ol
CID 15153703
3-(Ethylamino)propane-1,2-diol
CID 89209
(S)-morpholin-2-ylmethanol
CID 1512575
(2R)-3-(methylamino)propane-1,2-diol
CID 7167893
(2R)-morpholin-2-ylmethanol hydrochloride
CID 42614735
rac-(3R,4R)-4-methoxypyrrolidin-3-ol
CID 9942137
GlyTouCan:G89581YY
CID 648844
(R)-2-Hydroxymethylmorpholine
CID 6558857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-(methylamino)propan-1-ol?
The IUPAC name of (2S)-2-methoxy-3-(methylamino)propan-1-ol (CID 176680341) is (2S)-2-methoxy-3-(methylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-methoxy-3-(methylamino)propan-1-ol?
The canonical SMILES for (2S)-2-methoxy-3-(methylamino)propan-1-ol is CNC[C@@H](CO)OC.
What is the InChIKey of (2S)-2-methoxy-3-(methylamino)propan-1-ol?
The InChIKey is ASFJGOWKUMTYNG-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6-3-5(4-7)8-2/h5-7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-methoxy-3-(methylamino)propan-1-ol?
(2S)-2-methoxy-3-(methylamino)propan-1-ol has a molecular weight of 119.16 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-(methylamino)propan-1-ol is sourced from PubChem (CID 176680341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).