[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C20H26N2O3 — CID 7773143

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-3-15(2)18(16-9-5-4-6-10-16)19(24)25-13-17(23)22-20(14-21)11-7-8-12-20/h4-6,9-10,15,18H,3,7-8,11-13H2,1-2H3,(H,22,23)/t15-,18-/m1/s1
InChIKeyGEBVUCLTUXNIGZ-CRAIPNDOSA-N
MW342.44 g/mol
LogP3.31
Rot. Bonds7

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7773143) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7773143
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-3-15(2)18(16-9-5-4-6-10-16)19(24)25-13-17(23)22-20(14-21)11-7-8-12-20/h4-6,9-10,15,18H,3,7-8,11-13H2,1-2H3,(H,22,23)/t15-,18-/m1/s1
InChIKeyGEBVUCLTUXNIGZ-CRAIPNDOSA-N
XLogP3.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834274
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132991
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 8942574
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821271
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821272
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-(2-cyanoanilino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772960
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7773143) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is GEBVUCLTUXNIGZ-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-15(2)18(16-9-5-4-6-10-16)19(24)25-13-17(23)22-20(14-21)11-7-8-12-20/h4-6,9-10,15,18H,3,7-8,11-13H2,1-2H3,(H,22,23)/t15-,18-/m1/s1.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 342.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7773143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).