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

C19H24N2O4 — CID 42378459

IUPACmethyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)8-4-7-17(22)20-15-11-18(23)21(12-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyISPTYCIZHMJNMY-HNNXBMFYSA-N
MW344.41 g/mol
LogP1.21
Rot. Bonds6

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

methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate (PubChem CID 42378459) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
PubChem CID42378459
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)8-4-7-17(22)20-15-11-18(23)21(12-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyISPTYCIZHMJNMY-HNNXBMFYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
CID 45208938
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315426
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315427
methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 45196047
1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
CID 45214177
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate (CID 42378459) is methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1.
What is the InChIKey of methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The InChIKey is ISPTYCIZHMJNMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-19(24)8-4-7-17(22)20-15-11-18(23)21(12-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate has a molecular weight of 344.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 42378459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).