5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid

C13H13NO3 — CID 112693433

IUPAC5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3ccccc3o2)N1
InChIInChI=1S/C13H13NO3/c15-13(16)10-6-5-9(14-10)12-7-8-3-1-2-4-11(8)17-12/h1-4,7,9-10,14H,5-6H2,(H,15,16)
InChIKeyWCTZCJACKSIXSP-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.31
Rot. Bonds2

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

5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 112693433) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID112693433
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cc3ccccc3o2)N1
InChIInChI=1S/C13H13NO3/c15-13(16)10-6-5-9(14-10)12-7-8-3-1-2-4-11(8)17-12/h1-4,7,9-10,14H,5-6H2,(H,15,16)
InChIKeyWCTZCJACKSIXSP-UHFFFAOYSA-N
XLogP2.31
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 130955627
methyl 5-(1-benzofuran-2-yl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65171490
2-cyclopropyl-1-benzofuran
CID 12528043
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
CID 114736885
3-(1-benzofuran-2-yl)-5-methyl-1,4-thiazepane
CID 66232168
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
3-(1-benzofuran-2-yl)-1,4-thiazepane
CID 66216793

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid (CID 112693433) is 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2cc3ccccc3o2)N1.
What is the InChIKey of 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WCTZCJACKSIXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(16)10-6-5-9(14-10)12-7-8-3-1-2-4-11(8)17-12/h1-4,7,9-10,14H,5-6H2,(H,15,16).
What are the key properties of 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid?
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112693433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).