methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate

C22H24N2O3 — CID 45196937

IUPACmethyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-22(26)16-8-6-15(7-9-16)13-23-19-12-21(25)24(14-19)20-10-17-4-2-3-5-18(17)11-20/h2-9,19-20,23H,10-14H2,1H3
InChIKeyRCAMKCAMVRAIEI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.33
Rot. Bonds5

About methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate

methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate (PubChem CID 45196937) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
PubChem CID45196937
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namemethyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-22(26)16-8-6-15(7-9-16)13-23-19-12-21(25)24(14-19)20-10-17-4-2-3-5-18(17)11-20/h2-9,19-20,23H,10-14H2,1H3
InChIKeyRCAMKCAMVRAIEI-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733
1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45175983
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45250962
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45223736
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45220820
methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate (CID 45196937) is methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate is COC(=O)c1ccc(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cc1.
What is the InChIKey of methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate?
The InChIKey is RCAMKCAMVRAIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-22(26)16-8-6-15(7-9-16)13-23-19-12-21(25)24(14-19)20-10-17-4-2-3-5-18(17)11-20/h2-9,19-20,23H,10-14H2,1H3.
What are the key properties of methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate?
methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate has a molecular weight of 364.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate is sourced from PubChem (CID 45196937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).