5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid

C13H11NO5 — CID 75465472

IUPAC5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C1OCc2cc(N3CC(C(=O)O)CC3=O)ccc21
InChIInChI=1S/C13H11NO5/c15-11-4-7(12(16)17)5-14(11)9-1-2-10-8(3-9)6-19-13(10)18/h1-3,7H,4-6H2,(H,16,17)
InChIKeyQVLHCANDTYUPMP-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.79
Rot. Bonds2

About 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 75465472) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID75465472
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C1OCc2cc(N3CC(C(=O)O)CC3=O)ccc21
InChIInChI=1S/C13H11NO5/c15-11-4-7(12(16)17)5-14(11)9-1-2-10-8(3-9)6-19-13(10)18/h1-3,7H,4-6H2,(H,16,17)
InChIKeyQVLHCANDTYUPMP-UHFFFAOYSA-N
XLogP0.79
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
4-chloro-1-(3-oxo-1H-2-benzofuran-5-yl)pyrrolidin-2-one
CID 168689659
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 82500720
5-oxo-1-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-3-carboxylic acid
CID 168692115
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 56772293

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid (CID 75465472) is 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid is O=C1OCc2cc(N3CC(C(=O)O)CC3=O)ccc21.
What is the InChIKey of 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is QVLHCANDTYUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-11-4-7(12(16)17)5-14(11)9-1-2-10-8(3-9)6-19-13(10)18/h1-3,7H,4-6H2,(H,16,17).
What are the key properties of 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 75465472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).