1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid

C15H18N2O2 — CID 65071937

IUPAC1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
SMILESCCc1cccc2c(CN3CC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C15H18N2O2/c1-2-10-4-3-5-13-11(6-16-14(10)13)7-17-8-12(9-17)15(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,18,19)
InChIKeyOBIBJBKHOBBACK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds4

About 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid

1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid (PubChem CID 65071937) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
PubChem CID65071937
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
SMILESCCc1cccc2c(CN3CC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C15H18N2O2/c1-2-10-4-3-5-13-11(6-16-14(10)13)7-17-8-12(9-17)15(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,18,19)
InChIKeyOBIBJBKHOBBACK-UHFFFAOYSA-N
XLogP2.25
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7-ethyl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
CID 55030032
[1-[(7-ethyl-1H-indol-3-yl)methyl]piperidin-3-yl]methanol
CID 110244912
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 56787168
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
7-ethyl-3-methyl-1H-indole
CID 13271010
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 9275355
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
CID 65055782

Frequently Asked Questions

What is the IUPAC name of 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid (CID 65071937) is 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid is CCc1cccc2c(CN3CC(C(=O)O)C3)c[nH]c12.
What is the InChIKey of 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid?
The InChIKey is OBIBJBKHOBBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-10-4-3-5-13-11(6-16-14(10)13)7-17-8-12(9-17)15(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid?
1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 65071937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).