methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

C21H24N2O5 — CID 55514579

IUPACmethyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H24N2O5/c1-27-20(25)9-10-22(13-16-6-3-2-4-7-16)21(26)17-12-19(24)23(14-17)15-18-8-5-11-28-18/h2-8,11,17H,9-10,12-15H2,1H3
InChIKeyGDZKFLCZNMFLFG-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.22
Rot. Bonds8

About methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 55514579) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
PubChem CID55514579
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H24N2O5/c1-27-20(25)9-10-22(13-16-6-3-2-4-7-16)21(26)17-12-19(24)23(14-17)15-18-8-5-11-28-18/h2-8,11,17H,9-10,12-15H2,1H3
InChIKeyGDZKFLCZNMFLFG-UHFFFAOYSA-N
XLogP2.22
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
methyl 3-[benzyl-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55582309
methyl 3-[benzyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55547764
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(furan-2-ylmethyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 112793621
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (CID 55514579) is methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is GDZKFLCZNMFLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-20(25)9-10-22(13-16-6-3-2-4-7-16)21(26)17-12-19(24)23(14-17)15-18-8-5-11-28-18/h2-8,11,17H,9-10,12-15H2,1H3.
What are the key properties of methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 384.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 55514579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).