methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate

C14H19NO5 — CID 100919296

IUPACmethyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESC=C[C@@H]1CCC[C@H]1C(C(=O)OC)C(=O)N1CCOC1=O
InChIInChI=1S/C14H19NO5/c1-3-9-5-4-6-10(9)11(13(17)19-2)12(16)15-7-8-20-14(15)18/h3,9-11H,1,4-8H2,2H3/t9-,10-,11?/m1/s1
InChIKeyIGFDSRGLUCWFOH-DIOIDXFWSA-N
MW281.31 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate

methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (PubChem CID 100919296) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
PubChem CID100919296
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESC=C[C@@H]1CCC[C@H]1C(C(=O)OC)C(=O)N1CCOC1=O
InChIInChI=1S/C14H19NO5/c1-3-9-5-4-6-10(9)11(13(17)19-2)12(16)15-7-8-20-14(15)18/h3,9-11H,1,4-8H2,2H3/t9-,10-,11?/m1/s1
InChIKeyIGFDSRGLUCWFOH-DIOIDXFWSA-N
XLogP1.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(1R,2S)-2-ethenylcyclopentyl]propanedioate
CID 14562870
methyl 2-(2-ethenylcyclohexyl)propanoate
CID 141349607
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
tert-butyl (2R,3S)-2-(2-methylpropyl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate
CID 11151950
[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
CID 134208502
methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 134963855
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
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
methyl 3-oxo-2-[(1S)-3-oxocyclopentyl]hept-6-enoate
CID 101274394
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The IUPAC name of methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (CID 100919296) is methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The canonical SMILES for methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is C=C[C@@H]1CCC[C@H]1C(C(=O)OC)C(=O)N1CCOC1=O.
What is the InChIKey of methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The InChIKey is IGFDSRGLUCWFOH-DIOIDXFWSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-9-5-4-6-10(9)11(13(17)19-2)12(16)15-7-8-20-14(15)18/h3,9-11H,1,4-8H2,2H3/t9-,10-,11?/m1/s1.
What are the key properties of methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate has a molecular weight of 281.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is sourced from PubChem (CID 100919296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).