1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C19H21NO4 — CID 119256824

IUPAC1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1ccc(-c2ccc(C(=O)N3CCC(C)(C(=O)O)C3)o2)cc1
InChIInChI=1S/C19H21NO4/c1-3-13-4-6-14(7-5-13)15-8-9-16(24-15)17(21)20-11-10-19(2,12-20)18(22)23/h4-9H,3,10-12H2,1-2H3,(H,22,23)
InChIKeyLVPXQRGECYMVSJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.45
Rot. Bonds4

About 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256824) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256824
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1ccc(-c2ccc(C(=O)N3CCC(C)(C(=O)O)C3)o2)cc1
InChIInChI=1S/C19H21NO4/c1-3-13-4-6-14(7-5-13)15-8-9-16(24-15)17(21)20-11-10-19(2,12-20)18(22)23/h4-9H,3,10-12H2,1-2H3,(H,22,23)
InChIKeyLVPXQRGECYMVSJ-UHFFFAOYSA-N
XLogP3.45
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257310
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
1-(5-ethyl-3-methylfuran-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 126790611
3-methyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 63133883
4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 124607399

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256824) is 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CCc1ccc(-c2ccc(C(=O)N3CCC(C)(C(=O)O)C3)o2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LVPXQRGECYMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-13-4-6-14(7-5-13)15-8-9-16(24-15)17(21)20-11-10-19(2,12-20)18(22)23/h4-9H,3,10-12H2,1-2H3,(H,22,23).
What are the key properties of 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).