[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium

C11H18NO2+ — CID 2102063

IUPAC[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]C[C@H](O)CO)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(12-7-11(14)8-13)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/p+1/t9-,11-/m0/s1
InChIKeyIJWGQNDOODPAMW-ONGXEEELSA-O
MW196.27 g/mol
LogP-0.34
Rot. Bonds5

About [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium

[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 2102063) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
PubChem CID2102063
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]C[C@H](O)CO)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(12-7-11(14)8-13)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/p+1/t9-,11-/m0/s1
InChIKeyIJWGQNDOODPAMW-ONGXEEELSA-O
XLogP-0.34
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
[(2S)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7482163
3-(1-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium
CID 6957345
(2R,4R)-4-phenylbutane-1,2,4-triol
CID 14940547
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 6988816
5-phenylpentane-1,2,5-triol
CID 82849671
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
CID 97087748
[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
CID 2118938
1-phenylpropane-1,3-diol
CID 572059

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium (CID 2102063) is [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium is C[C@H]([NH2+]C[C@H](O)CO)c1ccccc1.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is IJWGQNDOODPAMW-ONGXEEELSA-O. The full InChI is InChI=1S/C11H17NO2/c1-9(12-7-11(14)8-13)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/p+1/t9-,11-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium?
[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 196.27 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 2102063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).