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

C17H16ClNO4 — CID 119256069

IUPAC1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H16ClNO4/c1-17(16(21)22)8-9-19(10-17)15(20)14-7-6-13(23-14)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H,21,22)
InChIKeyIUWIMUHPHFNBRA-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.54
Rot. Bonds3

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

1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256069) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256069
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H16ClNO4/c1-17(16(21)22)8-9-19(10-17)15(20)14-7-6-13(23-14)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H,21,22)
InChIKeyIUWIMUHPHFNBRA-UHFFFAOYSA-N
XLogP3.54
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56888923
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
1-[5-(4-ethylphenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256824
1-[5-(4-fluorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257310
1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256786
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256069) is 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1.
What is the InChIKey of 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IUWIMUHPHFNBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-17(16(21)22)8-9-19(10-17)15(20)14-7-6-13(23-14)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H,21,22).
What are the key properties of 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 333.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).