1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid

C18H17NO5 — CID 119355877

IUPAC1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3C(=O)O)o2)cc1
InChIInChI=1S/C18H17NO5/c1-11(20)12-4-6-13(7-5-12)15-8-9-16(24-15)17(21)19-10-2-3-14(19)18(22)23/h4-9,14H,2-3,10H2,1H3,(H,22,23)
InChIKeySQWYYBKXUKGECO-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.84
Rot. Bonds4

About 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid

1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355877) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355877
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3C(=O)O)o2)cc1
InChIInChI=1S/C18H17NO5/c1-11(20)12-4-6-13(7-5-12)15-8-9-16(24-15)17(21)19-10-2-3-14(19)18(22)23/h4-9,14H,2-3,10H2,1H3,(H,22,23)
InChIKeySQWYYBKXUKGECO-UHFFFAOYSA-N
XLogP2.84
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone
CID 2474540
(2R)-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 78922083
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
[5-(4-chlorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 18106367
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
(3aS,6aR)-2-[5-(4-acetylphenyl)furan-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683793
1-[4-(methylsulfonylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43239530
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355877) is 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid is CC(=O)c1ccc(-c2ccc(C(=O)N3CCCC3C(=O)O)o2)cc1.
What is the InChIKey of 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SQWYYBKXUKGECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11(20)12-4-6-13(7-5-12)15-8-9-16(24-15)17(21)19-10-2-3-14(19)18(22)23/h4-9,14H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid?
1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-acetylphenyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).