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

C14H16N2O2 — CID 82537997

IUPAC1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc2cc(N3CCCC3C(=O)O)ccc21
InChIInChI=1S/C14H16N2O2/c1-15-8-6-10-9-11(4-5-12(10)15)16-7-2-3-13(16)14(17)18/h4-6,8-9,13H,2-3,7H2,1H3,(H,17,18)
InChIKeyGMAWMRLYCZHHFK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds2

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

1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82537997) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID82537997
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc2cc(N3CCCC3C(=O)O)ccc21
InChIInChI=1S/C14H16N2O2/c1-15-8-6-10-9-11(4-5-12(10)15)16-7-2-3-13(16)14(17)18/h4-6,8-9,13H,2-3,7H2,1H3,(H,17,18)
InChIKeyGMAWMRLYCZHHFK-UHFFFAOYSA-N
XLogP2.23
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid (CID 82537997) is 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid is Cn1ccc2cc(N3CCCC3C(=O)O)ccc21.
What is the InChIKey of 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is GMAWMRLYCZHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-8-6-10-9-11(4-5-12(10)15)16-7-2-3-13(16)14(17)18/h4-6,8-9,13H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid?
1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82537997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).