[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate

C25H26N2O5 — CID 55403516

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H26N2O5/c1-16(24(30)20-8-7-17-4-2-5-19(17)14-20)32-23(29)15-26-25(31)18-9-11-21(12-10-18)27-13-3-6-22(27)28/h7-12,14,16H,2-6,13,15H2,1H3,(H,26,31)
InChIKeyUGLCATBIHHVDTP-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.85
Rot. Bonds7

About [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate (PubChem CID 55403516) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
PubChem CID55403516
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H26N2O5/c1-16(24(30)20-8-7-17-4-2-5-19(17)14-20)32-23(29)15-26-25(31)18-9-11-21(12-10-18)27-13-3-6-22(27)28/h7-12,14,16H,2-6,13,15H2,1H3,(H,26,31)
InChIKeyUGLCATBIHHVDTP-UHFFFAOYSA-N
XLogP2.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385017
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385030
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 51419493
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883069
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269969
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385029
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204098
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate (CID 55403516) is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate is CC(OC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The InChIKey is UGLCATBIHHVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16(24(30)20-8-7-17-4-2-5-19(17)14-20)32-23(29)15-26-25(31)18-9-11-21(12-10-18)27-13-3-6-22(27)28/h7-12,14,16H,2-6,13,15H2,1H3,(H,26,31).
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate has a molecular weight of 434.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate is sourced from PubChem (CID 55403516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).