(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride

C12H17ClN2O3 — CID 174370623

IUPAC(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](CC(=O)N1CCO[C@@H]1O)c1ccccc1
InChIInChI=1S/C12H16N2O3.ClH/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16;/h1-5,10,12,16H,6-8,13H2;1H/t10-,12-;/m0./s1
InChIKeyQECRBMDIEXOFDV-JGAZGGJJSA-N
MW272.73 g/mol
LogP0.63
Rot. Bonds3

About (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride

(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 174370623) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID174370623
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](CC(=O)N1CCO[C@@H]1O)c1ccccc1
InChIInChI=1S/C12H16N2O3.ClH/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16;/h1-5,10,12,16H,6-8,13H2;1H/t10-,12-;/m0./s1
InChIKeyQECRBMDIEXOFDV-JGAZGGJJSA-N
XLogP0.63
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride with MolForge

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Related Compounds

(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951701
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951836
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119950579

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride (CID 174370623) is (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride is Cl.N[C@@H](CC(=O)N1CCO[C@@H]1O)c1ccccc1.
What is the InChIKey of (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is QECRBMDIEXOFDV-JGAZGGJJSA-N. The full InChI is InChI=1S/C12H16N2O3.ClH/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16;/h1-5,10,12,16H,6-8,13H2;1H/t10-,12-;/m0./s1.
What are the key properties of (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride?
(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 272.73 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 174370623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).