2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid

C16H20N2O2 — CID 65069282

IUPAC2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
SMILESCCn1cc(CN2CC(CC(=O)O)C2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-11-13(14-5-3-4-6-15(14)18)10-17-8-12(9-17)7-16(19)20/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyDJSBKWVWGMYREN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid

2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid (PubChem CID 65069282) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
PubChem CID65069282
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
SMILESCCn1cc(CN2CC(CC(=O)O)C2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-11-13(14-5-3-4-6-15(14)18)10-17-8-12(9-17)7-16(19)20/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyDJSBKWVWGMYREN-UHFFFAOYSA-N
XLogP2.57
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
acetic acid;1-ethylindol-3-ol
CID 71405602
2-[(1-ethylindol-3-yl)methyl-prop-2-enylamino]acetic acid
CID 79285897

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid (CID 65069282) is 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid is CCn1cc(CN2CC(CC(=O)O)C2)c2ccccc21.
What is the InChIKey of 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is DJSBKWVWGMYREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-11-13(14-5-3-4-6-15(14)18)10-17-8-12(9-17)7-16(19)20/h3-6,11-12H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).