[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C23H22N2O5 — CID 7435756

IUPAC[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C23H22N2O5/c26-19(14-25-22(28)17-12-6-7-13-18(17)23(25)29)30-20(15-8-2-1-3-9-15)21(27)24-16-10-4-5-11-16/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27)/t20-/m1/s1
InChIKeyBRIONSAGLPRCLK-HXUWFJFHSA-N
MW406.44 g/mol
LogP2.63
Rot. Bonds6

About [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7435756) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7435756
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C23H22N2O5/c26-19(14-25-22(28)17-12-6-7-13-18(17)23(25)29)30-20(15-8-2-1-3-9-15)21(27)24-16-10-4-5-11-16/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27)/t20-/m1/s1
InChIKeyBRIONSAGLPRCLK-HXUWFJFHSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7242381
[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 6487553
[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435757
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951287
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55392409
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 24979821
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 42964044
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8603095
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7435756) is [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is BRIONSAGLPRCLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-19(14-25-22(28)17-12-6-7-13-18(17)23(25)29)30-20(15-8-2-1-3-9-15)21(27)24-16-10-4-5-11-16/h1-3,6-9,12-13,16,20H,4-5,10-11,14H2,(H,24,27)/t20-/m1/s1.
What are the key properties of [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 406.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7435756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).