benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

C13H13NO5 — CID 4868209

IUPACbenzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESO=C(CCC1NC(=O)OC1=O)OCc1ccccc1
InChIInChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)
InChIKeyUGCBVSDSTGUPBC-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.14
Rot. Bonds5

About benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (PubChem CID 4868209) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
PubChem CID4868209
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namebenzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESO=C(CCC1NC(=O)OC1=O)OCc1ccccc1
InChIInChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)
InChIKeyUGCBVSDSTGUPBC-UHFFFAOYSA-N
XLogP1.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 159699809
(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 123196272
benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
CID 166811067
benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate
CID 19091323
2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid;benzyl N-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butyl]carbamate
CID 167674288
benzyl 5-(dioctadecylamino)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoate;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 158933196
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
benzyl 3-(4-benzyl-3,6-dioxopiperazin-2-yl)propanoate
CID 123664935
dibenzyl 4-oxoheptanedioate
CID 14639376
2-[2-(2-azidoethoxy)ethoxy]ethylazanium;benzyl (4S)-4-acetamido-8-[2-(2-azidoethoxy)ethoxy]-5-oxooctanoate;benzyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate;2,2-difluoroacetate
CID 160965321
azane;benzyl 3-phenylpropanoate
CID 175136325
4-O-amino 1-O-benzyl butanedioate
CID 54013080

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The IUPAC name of benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (CID 4868209) is benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.
What is the SMILES notation for benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The canonical SMILES for benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is O=C(CCC1NC(=O)OC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The InChIKey is UGCBVSDSTGUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17).
What are the key properties of benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate has a molecular weight of 263.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is sourced from PubChem (CID 4868209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).