2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid

C12H13NO4 — CID 91225875

IUPAC2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid
SMILESCc1ccc(C[C@@H]2COC(=O)N2)cc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-2-3-8(5-10(7)11(14)15)4-9-6-17-12(16)13-9/h2-3,5,9H,4,6H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyXRYKAMFPUSFORS-SECBINFHSA-N
MW235.24 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid

2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid (PubChem CID 91225875) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid
PubChem CID91225875
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid
SMILESCc1ccc(C[C@@H]2COC(=O)N2)cc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-2-3-8(5-10(7)11(14)15)4-9-6-17-12(16)13-9/h2-3,5,9H,4,6H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyXRYKAMFPUSFORS-SECBINFHSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid?
The IUPAC name of 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid (CID 91225875) is 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid is Cc1ccc(C[C@@H]2COC(=O)N2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid?
The InChIKey is XRYKAMFPUSFORS-SECBINFHSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-2-3-8(5-10(7)11(14)15)4-9-6-17-12(16)13-9/h2-3,5,9H,4,6H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid?
2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 91225875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).