prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate

C17H20N2O6 — CID 15473947

IUPACprop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate
SMILESC=CCOC(=O)[C@@H](CC(=O)N1CCOC1=O)[C@H](C)C(=O)n1cccc1
InChIInChI=1S/C17H20N2O6/c1-3-9-24-16(22)13(11-14(20)19-8-10-25-17(19)23)12(2)15(21)18-6-4-5-7-18/h3-7,12-13H,1,8-11H2,2H3/t12-,13-/m0/s1
InChIKeyKLXKBEVTPPCHHO-STQMWFEESA-N
MW348.36 g/mol
LogP1.48
Rot. Bonds7

About prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate

prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate (PubChem CID 15473947) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate
PubChem CID15473947
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Nameprop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate
SMILESC=CCOC(=O)[C@@H](CC(=O)N1CCOC1=O)[C@H](C)C(=O)n1cccc1
InChIInChI=1S/C17H20N2O6/c1-3-9-24-16(22)13(11-14(20)19-8-10-25-17(19)23)12(2)15(21)18-6-4-5-7-18/h3-7,12-13H,1,8-11H2,2H3/t12-,13-/m0/s1
InChIKeyKLXKBEVTPPCHHO-STQMWFEESA-N
XLogP1.48
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S,3S)-3-methyl-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473921
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-[4,4,4-trifluoro-3-(1-prop-2-enylpyrrol-2-yl)butanoyl]-1,3-oxazolidin-2-one
CID 45140682
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
ethyl (2S,3S)-3-(cyclopentylmethyl)-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473939
ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 102477685
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate?
The IUPAC name of prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate (CID 15473947) is prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate.
What is the SMILES notation for prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate?
The canonical SMILES for prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate is C=CCOC(=O)[C@@H](CC(=O)N1CCOC1=O)[C@H](C)C(=O)n1cccc1.
What is the InChIKey of prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate?
The InChIKey is KLXKBEVTPPCHHO-STQMWFEESA-N. The full InChI is InChI=1S/C17H20N2O6/c1-3-9-24-16(22)13(11-14(20)19-8-10-25-17(19)23)12(2)15(21)18-6-4-5-7-18/h3-7,12-13H,1,8-11H2,2H3/t12-,13-/m0/s1.
What are the key properties of prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate?
prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate has a molecular weight of 348.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate is sourced from PubChem (CID 15473947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).