(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride

C5H14ClNO2 — CID 178199930

IUPAC(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride
SMILESCCOC[C@@H](O)CN.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-2-8-4-5(7)3-6;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyWTWQMJWCDZKWAK-JEDNCBNOSA-N
MW155.62 g/mol
LogP-0.24
Rot. Bonds4

About (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride

(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride (PubChem CID 178199930) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride
PubChem CID178199930
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride
SMILESCCOC[C@@H](O)CN.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-2-8-4-5(7)3-6;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyWTWQMJWCDZKWAK-JEDNCBNOSA-N
XLogP-0.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride?
The IUPAC name of (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride (CID 178199930) is (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride.
What is the SMILES notation for (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride?
The canonical SMILES for (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride is CCOC[C@@H](O)CN.Cl.
What is the InChIKey of (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride?
The InChIKey is WTWQMJWCDZKWAK-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-2-8-4-5(7)3-6;/h5,7H,2-4,6H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride?
(2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-ethoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 178199930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).