1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid

C16H20N2O2 — CID 65056473

IUPAC1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCn1cc(CN2CCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-17-10-12(13-6-3-4-7-14(13)17)11-18-9-5-8-15(18)16(19)20/h3-4,6-7,10,15H,2,5,8-9,11H2,1H3,(H,19,20)
InChIKeySUPLIQXITGEFBX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds4

About 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056473) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID65056473
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCn1cc(CN2CCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-17-10-12(13-6-3-4-7-14(13)17)11-18-9-5-8-15(18)16(19)20/h3-4,6-7,10,15H,2,5,8-9,11H2,1H3,(H,19,20)
InChIKeySUPLIQXITGEFBX-UHFFFAOYSA-N
XLogP2.71
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylindol-3-yl)methyl]azepane-2-carboxylic acid
CID 65069474
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732606
5-ethyl-4-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50808983
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 65069282
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 65056473) is 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid is CCn1cc(CN2CCCC2C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SUPLIQXITGEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-17-10-12(13-6-3-4-7-14(13)17)11-18-9-5-8-15(18)16(19)20/h3-4,6-7,10,15H,2,5,8-9,11H2,1H3,(H,19,20).
What are the key properties of 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).