ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate

C11H17NO5 — CID 11276570

IUPACethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate
SMILESCCC[C@@H](C(=O)OCC)N1C(=O)OC(=O)[C@@H]1C
InChIInChI=1S/C11H17NO5/c1-4-6-8(10(14)16-5-2)12-7(3)9(13)17-11(12)15/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXTLCJZYMZHGJLY-YUMQZZPRSA-N
MW243.26 g/mol
LogP1.09
Rot. Bonds5

About ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate

ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate (PubChem CID 11276570) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate
PubChem CID11276570
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate
SMILESCCC[C@@H](C(=O)OCC)N1C(=O)OC(=O)[C@@H]1C
InChIInChI=1S/C11H17NO5/c1-4-6-8(10(14)16-5-2)12-7(3)9(13)17-11(12)15/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXTLCJZYMZHGJLY-YUMQZZPRSA-N
XLogP1.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 394147
Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
Boc-L-Pro-Ome
CID 1277666
Boc-DL-Proline ethyl ester
CID 12195585
2-(2-Oxo-pyrrolidin-1-yl)-butyric acid ethyl ester
CID 14438681
Ethyl (R)-(+)-1-Ethyl-2-pyrrolidinecarboxylate
CID 44630281
(S)-Ethyl 1-acetylpyrrolidine-2-carboxylate
CID 969011
Methyl (S)-1-(ethoxycarbonyl)pyrrolidine-2-carboxylate
CID 11084871
ethyl (S)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 25799418
1,2-Dimethyl pyrrolidine-1,2-dicarboxylate
CID 13757329
1,2-Di-tert-butyl pyrrolidine-1,2-dicarboxylate
CID 11149935
Boc-D-Pro-Ome
CID 1277667

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate?
The IUPAC name of ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate (CID 11276570) is ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate.
What is the SMILES notation for ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate?
The canonical SMILES for ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate is CCC[C@@H](C(=O)OCC)N1C(=O)OC(=O)[C@@H]1C.
What is the InChIKey of ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate?
The InChIKey is XTLCJZYMZHGJLY-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17NO5/c1-4-6-8(10(14)16-5-2)12-7(3)9(13)17-11(12)15/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate?
ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate has a molecular weight of 243.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]pentanoate is sourced from PubChem (CID 11276570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).