(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid

C11H11NO4 — CID 175451609

IUPAC(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1C(=O)O[C@@H](c2ccccc2)N1C(=O)O
InChIInChI=1S/C11H11NO4/c1-7-10(13)16-9(12(7)11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyYONAQJGIIDGQFX-NETXQHHPSA-N
MW221.21 g/mol
LogP1.61
Rot. Bonds1

About (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid

(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 175451609) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID175451609
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1C(=O)O[C@@H](c2ccccc2)N1C(=O)O
InChIInChI=1S/C11H11NO4/c1-7-10(13)16-9(12(7)11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyYONAQJGIIDGQFX-NETXQHHPSA-N
XLogP1.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
CID 85435435
(2R)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451639
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
CID 167005616
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
methyl (2S,4S)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
CID 101189471
methyl (2S,4R)-5-oxo-2-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3-carboxylate
CID 10644848
benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
9H-fluoren-9-ylmethyl (6S,8aS)-8-methyl-1,5-dioxo-3-phenyl-6-propan-2-yl-3,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
CID 58508361
3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
CID 2794083
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid (CID 175451609) is (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid is CC1C(=O)O[C@@H](c2ccccc2)N1C(=O)O.
What is the InChIKey of (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is YONAQJGIIDGQFX-NETXQHHPSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7-10(13)16-9(12(7)11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid?
(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 175451609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).