5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid

C14H17NO3 — CID 117370482

IUPAC5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1Cc2c(cccc2C2CC(C(=O)O)CN2)O1
InChIInChI=1S/C14H17NO3/c1-8-5-11-10(3-2-4-13(11)18-8)12-6-9(7-15-12)14(16)17/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17)
InChIKeyGWEOSFQSSLWDNP-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.75
Rot. Bonds2

About 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid

5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117370482) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID117370482
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC1Cc2c(cccc2C2CC(C(=O)O)CN2)O1
InChIInChI=1S/C14H17NO3/c1-8-5-11-10(3-2-4-13(11)18-8)12-6-9(7-15-12)14(16)17/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17)
InChIKeyGWEOSFQSSLWDNP-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 82623130
5-(2,2-dimethyl-1,3-benzoxathiol-7-yl)pyrrolidine-3-carboxylic acid
CID 117448068
5-(3-hydroxy-2-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117386436
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-[2,3-bis(methylsulfanyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117455786
5-(7-methyl-1,3-benzodioxol-4-yl)pyrrolidine-3-carboxylic acid
CID 117375588
5-(1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
CID 115006629
5-(1,2-benzoxazol-7-yl)pyrrolidine-3-carboxylic acid
CID 117336090
5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
5-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117441288
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine-3-carboxylic acid
CID 117455989

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid (CID 117370482) is 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid is CC1Cc2c(cccc2C2CC(C(=O)O)CN2)O1.
What is the InChIKey of 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GWEOSFQSSLWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-11-10(3-2-4-13(11)18-8)12-6-9(7-15-12)14(16)17/h2-4,8-9,12,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid?
5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117370482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).