[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate

C16H16N2O5 — CID 7983707

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H16N2O5/c1-11(23-13-6-4-12(9-17)5-7-13)16(21)22-10-15(20)18-8-2-3-14(18)19/h4-7,11H,2-3,8,10H2,1H3/t11-/m1/s1
InChIKeyIXCJINUNDMSXJQ-LLVKDONJSA-N
MW316.31 g/mol
LogP1.02
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983707) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7983707
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H16N2O5/c1-11(23-13-6-4-12(9-17)5-7-13)16(21)22-10-15(20)18-8-2-3-14(18)19/h4-7,11H,2-3,8,10H2,1H3/t11-/m1/s1
InChIKeyIXCJINUNDMSXJQ-LLVKDONJSA-N
XLogP1.02
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984058
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
CID 2628809
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984318
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7762118
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867443
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977928

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7983707) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate is C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is IXCJINUNDMSXJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11(23-13-6-4-12(9-17)5-7-13)16(21)22-10-15(20)18-8-2-3-14(18)19/h4-7,11H,2-3,8,10H2,1H3/t11-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 316.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).