3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid

C15H19NO4 — CID 115064700

IUPAC3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCc1ccccc1CN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C15H19NO4/c1-11-5-3-4-6-12(11)9-16-14(19)20-10-15(16,2)8-7-13(17)18/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyRFLUPAAXQSUHDE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.57
Rot. Bonds5

About 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid

3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 115064700) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID115064700
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCc1ccccc1CN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C15H19NO4/c1-11-5-3-4-6-12(11)9-16-14(19)20-10-15(16,2)8-7-13(17)18/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyRFLUPAAXQSUHDE-UHFFFAOYSA-N
XLogP2.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492
4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064180
2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115064623
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 13192567
4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butanoic acid
CID 98020260
2-(2-methylphenyl)acetic acid
CID 67440217
3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
CID 68537801
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056
3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64886968
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874922

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid (CID 115064700) is 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid is Cc1ccccc1CN1C(=O)OCC1(C)CCC(=O)O.
What is the InChIKey of 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is RFLUPAAXQSUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-3-4-6-12(11)9-16-14(19)20-10-15(16,2)8-7-13(17)18/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid?
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 115064700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).