[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate

C19H23N3O4 — CID 7132991

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-14(23)21-16(15-7-3-2-4-8-15)11-18(25)26-12-17(24)22-19(13-20)9-5-6-10-19/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyRYABWIALLRJBRM-MRXNPFEDSA-N
MW357.41 g/mol
LogP1.75
Rot. Bonds7

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate (PubChem CID 7132991) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
PubChem CID7132991
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-14(23)21-16(15-7-3-2-4-8-15)11-18(25)26-12-17(24)22-19(13-20)9-5-6-10-19/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyRYABWIALLRJBRM-MRXNPFEDSA-N
XLogP1.75
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7773143
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821272
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821271
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate (CID 7132991) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate is CC(=O)N[C@H](CC(=O)OCC(=O)NC1(C#N)CCCC1)c1ccccc1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate?
The InChIKey is RYABWIALLRJBRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14(23)21-16(15-7-3-2-4-8-15)11-18(25)26-12-17(24)22-19(13-20)9-5-6-10-19/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate has a molecular weight of 357.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 7132991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).