1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid

C18H23NO5 — CID 138018184

IUPAC1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)c2cc(C3CC3)oc2C2CC2)C(C)(C(=O)O)C1
InChIInChI=1S/C18H23NO5/c1-18(17(21)22)8-12(23-2)9-19(18)16(20)13-7-14(10-3-4-10)24-15(13)11-5-6-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,21,22)
InChIKeyFTLHZJVVCLXNKB-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid

1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 138018184) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
PubChem CID138018184
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)c2cc(C3CC3)oc2C2CC2)C(C)(C(=O)O)C1
InChIInChI=1S/C18H23NO5/c1-18(17(21)22)8-12(23-2)9-19(18)16(20)13-7-14(10-3-4-10)24-15(13)11-5-6-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,21,22)
InChIKeyFTLHZJVVCLXNKB-UHFFFAOYSA-N
XLogP2.74
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid (CID 138018184) is 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid is COC1CN(C(=O)c2cc(C3CC3)oc2C2CC2)C(C)(C(=O)O)C1.
What is the InChIKey of 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FTLHZJVVCLXNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(17(21)22)8-12(23-2)9-19(18)16(20)13-7-14(10-3-4-10)24-15(13)11-5-6-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,21,22).
What are the key properties of 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid?
1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dicyclopropylfuran-3-carbonyl)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 138018184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).