methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate

C15H18N2O4 — CID 110736807

IUPACmethyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
SMILESCOC(=O)CCC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)8-7-13(18)16-11-9-14(19)17(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyQZTUCITZBJBQEQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds5

About methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate

methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate (PubChem CID 110736807) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
PubChem CID110736807
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
SMILESCOC(=O)CCC(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c1-21-15(20)8-7-13(18)16-11-9-14(19)17(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyQZTUCITZBJBQEQ-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 7563752
methyl 6-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]hexanoate
CID 111913371
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 7546964
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate?
The IUPAC name of methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate (CID 110736807) is methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate is COC(=O)CCC(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate?
The InChIKey is QZTUCITZBJBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-15(20)8-7-13(18)16-11-9-14(19)17(10-11)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18).
What are the key properties of methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate?
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate has a molecular weight of 290.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate is sourced from PubChem (CID 110736807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).