2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid

C12H13NO5 — CID 115060062

IUPAC2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccccc2O)C(=O)O1
InChIInChI=1S/C12H13NO5/c14-10-4-2-1-3-8(10)6-13-7-9(5-11(15)16)18-12(13)17/h1-4,9,14H,5-7H2,(H,15,16)
InChIKeyIZMUSRLJXCLKCN-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.19
Rot. Bonds4

About 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid

2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 115060062) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
PubChem CID115060062
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2ccccc2O)C(=O)O1
InChIInChI=1S/C12H13NO5/c14-10-4-2-1-3-8(10)6-13-7-9(5-11(15)16)18-12(13)17/h1-4,9,14H,5-7H2,(H,15,16)
InChIKeyIZMUSRLJXCLKCN-UHFFFAOYSA-N
XLogP1.19
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]propanoic acid
CID 115060064
2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060016
3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065131
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011050
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 161152450
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid (CID 115060062) is 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid is O=C(O)CC1CN(Cc2ccccc2O)C(=O)O1.
What is the InChIKey of 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is IZMUSRLJXCLKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10-4-2-1-3-8(10)6-13-7-9(5-11(15)16)18-12(13)17/h1-4,9,14H,5-7H2,(H,15,16).
What are the key properties of 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 251.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 115060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).