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

C11H15N3O2 — CID 116681869

IUPAC2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
SMILESCc1cnc(N2CC(C(C)C(=O)O)C2)nc1
InChIInChI=1S/C11H15N3O2/c1-7-3-12-11(13-4-7)14-5-9(6-14)8(2)10(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyOYJAVWRWCAEMEW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds3

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

2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid (PubChem CID 116681869) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
PubChem CID116681869
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
SMILESCc1cnc(N2CC(C(C)C(=O)O)C2)nc1
InChIInChI=1S/C11H15N3O2/c1-7-3-12-11(13-4-7)14-5-9(6-14)8(2)10(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyOYJAVWRWCAEMEW-UHFFFAOYSA-N
XLogP0.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
CID 116682028
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
2-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681931
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid
CID 174238710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid (CID 116681869) is 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid is Cc1cnc(N2CC(C(C)C(=O)O)C2)nc1.
What is the InChIKey of 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid?
The InChIKey is OYJAVWRWCAEMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-12-11(13-4-7)14-5-9(6-14)8(2)10(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid?
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).