1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C12H14ClNO4 — CID 106683456

IUPAC1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H14ClNO4/c1-2-12(11(16)17)4-5-14(7-12)10(15)8-3-6-18-9(8)13/h3,6H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyIZMHXYPUBQETPJ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 106683456) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID106683456
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H14ClNO4/c1-2-12(11(16)17)4-5-14(7-12)10(15)8-3-6-18-9(8)13/h3,6H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyIZMHXYPUBQETPJ-UHFFFAOYSA-N
XLogP2.26
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
1-(2-chloro-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 81454925
3-ethyl-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 64949282
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
3-ethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 104772680
3-ethyl-1-(2-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146682
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
3-ethyl-1-(2,3,5-triiodobenzoyl)pyrrolidine-3-carboxylic acid
CID 63405879
3-ethyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144719
1-(3-chloro-4-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 82875281

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 106683456) is 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is IZMHXYPUBQETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-2-12(11(16)17)4-5-14(7-12)10(15)8-3-6-18-9(8)13/h3,6H,2,4-5,7H2,1H3,(H,16,17).
What are the key properties of 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106683456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).