3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

C19H26N2O6 — CID 120699471

IUPAC3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)(C(=O)O)C1(C)C
InChIInChI=1S/C19H26N2O6/c1-4-26-14-9-19(17(24)25,18(14,2)3)20-16(23)12-8-15(22)21(10-12)11-13-6-5-7-27-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyPRZKRMQMNKTPCG-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.40
Rot. Bonds7

About 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120699471) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120699471
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)(C(=O)O)C1(C)C
InChIInChI=1S/C19H26N2O6/c1-4-26-14-9-19(17(24)25,18(14,2)3)20-16(23)12-8-15(22)21(10-12)11-13-6-5-7-27-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyPRZKRMQMNKTPCG-UHFFFAOYSA-N
XLogP1.40
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
cis-(1S,3R)-3-ethoxy-1-(furan-2-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402546
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192065
(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
CID 95267149

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120699471) is 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)C2CC(=O)N(Cc3ccco3)C2)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is PRZKRMQMNKTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-4-26-14-9-19(17(24)25,18(14,2)3)20-16(23)12-8-15(22)21(10-12)11-13-6-5-7-27-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120699471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).