3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid

C13H15NO4 — CID 150720596

IUPAC3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)OCN1Cc1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(16)7-6-11-13(17)18-9-14(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyJPTVGJZDRVWSPG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.24
Rot. Bonds5

About 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid

3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 150720596) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID150720596
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)OCN1Cc1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(16)7-6-11-13(17)18-9-14(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyJPTVGJZDRVWSPG-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (4S)-4-[3-(dibenzylamino)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 70149500
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-naphthalen-1-ylacetamide
CID 41281593
3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23252650
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 41475064
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
(3R)-4-benzyl-3-phenylmorpholin-2-one
CID 12968270
(3S)-4-benzyl-3-phenylmorpholin-2-one
CID 15871960
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 150720596) is 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is O=C(O)CCC1C(=O)OCN1Cc1ccccc1.
What is the InChIKey of 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is JPTVGJZDRVWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)7-6-11-13(17)18-9-14(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 150720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).