2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid

C12H13NO4 — CID 81318059

IUPAC2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCOC1=O
InChIInChI=1S/C12H13NO4/c14-11(15)7-9-3-1-2-4-10(9)8-13-5-6-17-12(13)16/h1-4H,5-8H2,(H,14,15)
InChIKeyOTYMIPCGBAXSFW-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid

2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid (PubChem CID 81318059) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
PubChem CID81318059
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCOC1=O
InChIInChI=1S/C12H13NO4/c14-11(15)7-9-3-1-2-4-10(9)8-13-5-6-17-12(13)16/h1-4H,5-8H2,(H,14,15)
InChIKeyOTYMIPCGBAXSFW-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
2-[2-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]phenyl]acetic acid
CID 115461171
3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
CID 164530225
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
CID 22151120
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
2-[3-[(2-methoxyphenyl)methyl]-5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
CID 74234775
3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 105477050
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
3-(2-oxo-5-phenylpentyl)-1,3-oxazolidin-2-one
CID 158303526
CID 172781038
CID 172781038

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid (CID 81318059) is 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CN1CCOC1=O.
What is the InChIKey of 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid?
The InChIKey is OTYMIPCGBAXSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(15)7-9-3-1-2-4-10(9)8-13-5-6-17-12(13)16/h1-4H,5-8H2,(H,14,15).
What are the key properties of 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid?
2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 81318059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).