3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid

C15H19NO2 — CID 130275617

IUPAC3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C2CCc3ccccc3C2)C1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)9-16(10-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyIENNNBTUQGSQSS-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid

3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid (PubChem CID 130275617) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
PubChem CID130275617
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C2CCc3ccccc3C2)C1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)9-16(10-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,13H,6-10H2,1H3,(H,17,18)
InChIKeyIENNNBTUQGSQSS-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid (CID 130275617) is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid is CC1(C(=O)O)CN(C2CCc3ccccc3C2)C1.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid?
The InChIKey is IENNNBTUQGSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(14(17)18)9-16(10-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,13H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid?
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 130275617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).