ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate

C16H22N2O5 — CID 78800071

IUPACethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H22N2O5/c1-2-22-15(20)6-3-7-17-16(21)12-9-14(19)18(10-12)11-13-5-4-8-23-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,17,21)
InChIKeyBCNRZQLHFBOAIT-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.09
Rot. Bonds8

About ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate

ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate (PubChem CID 78800071) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
PubChem CID78800071
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nameethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C16H22N2O5/c1-2-22-15(20)6-3-7-17-16(21)12-9-14(19)18(10-12)11-13-5-4-8-23-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,17,21)
InChIKeyBCNRZQLHFBOAIT-UHFFFAOYSA-N
XLogP1.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011936
(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111335248
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
ethyl (E)-3-[4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 17405378
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate?
The IUPAC name of ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate (CID 78800071) is ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate is CCOC(=O)CCCNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate?
The InChIKey is BCNRZQLHFBOAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-2-22-15(20)6-3-7-17-16(21)12-9-14(19)18(10-12)11-13-5-4-8-23-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,17,21).
What are the key properties of ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate?
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate has a molecular weight of 322.36 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate is sourced from PubChem (CID 78800071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).