3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid

C14H17NO3 — CID 79229573

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CC2COc3ccccc32)CCNC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(5-6-15-9-14)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,15H,5-9H2,(H,16,17)
InChIKeyOSARMFMYVLPJMT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.62
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid

3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 79229573) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID79229573
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CC2COc3ccccc32)CCNC1
InChIInChI=1S/C14H17NO3/c16-13(17)14(5-6-15-9-14)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,15H,5-9H2,(H,16,17)
InChIKeyOSARMFMYVLPJMT-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
CID 79219923
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
3-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine
CID 79460417
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
4-benzylpiperidine-4-carboxylic acid
CID 18365178

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid (CID 79229573) is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(CC2COc3ccccc32)CCNC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OSARMFMYVLPJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(17)14(5-6-15-9-14)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,10,15H,5-9H2,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid?
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).