2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid

C12H16N2O2 — CID 116681880

IUPAC2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCc1ccc(N2CC(C(C)C(=O)O)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-10(7-14)9(2)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyBOEPWEZWOJZMSH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid

2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid (PubChem CID 116681880) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
PubChem CID116681880
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCc1ccc(N2CC(C(C)C(=O)O)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-10(7-14)9(2)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyBOEPWEZWOJZMSH-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane
CID 144929853
ethane;methyl (2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 144929756
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
[1-(5-methyl-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 90351301
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid (CID 116681880) is 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid is Cc1ccc(N2CC(C(C)C(=O)O)C2)nc1.
What is the InChIKey of 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid?
The InChIKey is BOEPWEZWOJZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-10(7-14)9(2)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid?
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).