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

C14H17NO2 — CID 65072102

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CCCc3ccccc32)C1
InChIInChI=1S/C14H17NO2/c16-14(17)11-8-15(9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H,16,17)
InChIKeyIXKWUCIYRLJDTH-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.08
Rot. Bonds2

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

1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid (PubChem CID 65072102) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
PubChem CID65072102
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CCCc3ccccc32)C1
InChIInChI=1S/C14H17NO2/c16-14(17)11-8-15(9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H,16,17)
InChIKeyIXKWUCIYRLJDTH-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
3-(2,3-dihydro-1H-inden-1-yl)-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylic acid
CID 129279428
3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316740
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxylic acid
CID 102786845
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 65056165

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid (CID 65072102) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(C2CCCc3ccccc32)C1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid?
The InChIKey is IXKWUCIYRLJDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)11-8-15(9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H,16,17).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 65072102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).