2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid

C12H16N2O3 — CID 116682028

IUPAC2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCOc1cc(N2CC(C(C)C(=O)O)C2)ccn1
InChIInChI=1S/C12H16N2O3/c1-8(12(15)16)9-6-14(7-9)10-3-4-13-11(5-10)17-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyCNZSCIMITJWAKE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid

2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid (PubChem CID 116682028) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
PubChem CID116682028
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
SMILESCOc1cc(N2CC(C(C)C(=O)O)C2)ccn1
InChIInChI=1S/C12H16N2O3/c1-8(12(15)16)9-6-14(7-9)10-3-4-13-11(5-10)17-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyCNZSCIMITJWAKE-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
CID 171808777
N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
CID 166602186
(1R,5R)-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 139504080
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
CID 172578180
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
CID 102960739
1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103357727
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate
CID 118872027
methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
CID 175669708
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
CID 140830554

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid (CID 116682028) is 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid is COc1cc(N2CC(C(C)C(=O)O)C2)ccn1.
What is the InChIKey of 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid?
The InChIKey is CNZSCIMITJWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(12(15)16)9-6-14(7-9)10-3-4-13-11(5-10)17-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid?
2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).