[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate

C17H20N2O5 — CID 7984182

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20N2O5/c1-12(24-14-6-4-13(9-18)5-7-14)17(21)23-11-16(20)19-10-15-3-2-8-22-15/h4-7,12,15H,2-3,8,10-11H2,1H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyAOVIZNLPBSWROJ-WFASDCNBSA-N
MW332.36 g/mol
LogP1.16
Rot. Bonds7

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984182) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID7984182
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20N2O5/c1-12(24-14-6-4-13(9-18)5-7-14)17(21)23-11-16(20)19-10-15-3-2-8-22-15/h4-7,12,15H,2-3,8,10-11H2,1H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyAOVIZNLPBSWROJ-WFASDCNBSA-N
XLogP1.16
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983949
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983854

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 7984182) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate is C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is AOVIZNLPBSWROJ-WFASDCNBSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-12(24-14-6-4-13(9-18)5-7-14)17(21)23-11-16(20)19-10-15-3-2-8-22-15/h4-7,12,15H,2-3,8,10-11H2,1H3,(H,19,20)/t12-,15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 332.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).