(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one

C17H26N2O3S — CID 122365809

IUPAC(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one
SMILESCSCC[C@H]1COC(C)(C)N1C(=O)[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-17(2)19(13(11-22-17)9-10-23-3)16(21)14(18)15(20)12-7-5-4-6-8-12/h4-8,13-15,20H,9-11,18H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeySDRCWHNDRZIKHH-RRFJBIMHSA-N
MW338.47 g/mol
LogP1.76
Rot. Bonds6

About (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one

(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one (PubChem CID 122365809) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one
PubChem CID122365809
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one
SMILESCSCC[C@H]1COC(C)(C)N1C(=O)[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-17(2)19(13(11-22-17)9-10-23-3)16(21)14(18)15(20)12-7-5-4-6-8-12/h4-8,13-15,20H,9-11,18H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeySDRCWHNDRZIKHH-RRFJBIMHSA-N
XLogP1.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one?
The IUPAC name of (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one (CID 122365809) is (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one is CSCC[C@H]1COC(C)(C)N1C(=O)[C@H](N)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one?
The InChIKey is SDRCWHNDRZIKHH-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2)19(13(11-22-17)9-10-23-3)16(21)14(18)15(20)12-7-5-4-6-8-12/h4-8,13-15,20H,9-11,18H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one?
(2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one has a molecular weight of 338.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-1-[(4S)-2,2-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 122365809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).