2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid

C12H15N3O4 — CID 66286199

IUPAC2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCOC(=O)c1nc(C)cc(N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-7-3-9(14-11(13-7)12(18)19-2)15-5-8(6-15)4-10(16)17/h3,8H,4-6H2,1-2H3,(H,16,17)
InChIKeyLGTBYBLZMFHYMR-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.48
Rot. Bonds4

About 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid

2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 66286199) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID66286199
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCOC(=O)c1nc(C)cc(N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-7-3-9(14-11(13-7)12(18)19-2)15-5-8(6-15)4-10(16)17/h3,8H,4-6H2,1-2H3,(H,16,17)
InChIKeyLGTBYBLZMFHYMR-UHFFFAOYSA-N
XLogP0.48
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
CID 66286109
methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
CID 104976159
methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
CID 106837278
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290680
methyl 4-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyrimidine-2-carboxylate
CID 66285924
2-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 66285605
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441
methyl 4-methyl-6-(1,2,4-triazol-1-yl)pyrimidine-2-carboxylate
CID 66285952
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595800
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid (CID 66286199) is 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid is COC(=O)c1nc(C)cc(N2CC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is LGTBYBLZMFHYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-3-9(14-11(13-7)12(18)19-2)15-5-8(6-15)4-10(16)17/h3,8H,4-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 66286199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).