(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid

C19H20N2O6S — CID 118051075

IUPAC(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cn2)C(=O)O1)(C(=O)O)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-19(17(22)23,28(2,25)26)10-15-12-21(18(24)27-15)16-9-8-14(11-20-16)13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyJVJNFRJACMPXPY-HNAYVOBHSA-N
MW404.44 g/mol
LogP2.35
Rot. Bonds6

About (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid

(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid (PubChem CID 118051075) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
PubChem CID118051075
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cn2)C(=O)O1)(C(=O)O)S(C)(=O)=O
InChIInChI=1S/C19H20N2O6S/c1-19(17(22)23,28(2,25)26)10-15-12-21(18(24)27-15)16-9-8-14(11-20-16)13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyJVJNFRJACMPXPY-HNAYVOBHSA-N
XLogP2.35
TPSA113.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid?
The IUPAC name of (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid (CID 118051075) is (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid?
The canonical SMILES for (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid is C[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cn2)C(=O)O1)(C(=O)O)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid?
The InChIKey is JVJNFRJACMPXPY-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-19(17(22)23,28(2,25)26)10-15-12-21(18(24)27-15)16-9-8-14(11-20-16)13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,22,23)/t15-,19+/m0/s1.
What are the key properties of (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid?
(2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid has a molecular weight of 404.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(5-phenyl-2-pyridinyl)-1,3-oxazolidin-5-yl]propanoic acid is sourced from PubChem (CID 118051075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).