2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

C11H16N4O4 — CID 102658593

IUPAC2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCn1cc(NC(=O)N2CC(C)(OCC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O4/c1-11(19-5-9(16)17)6-15(7-11)10(18)13-8-3-12-14(2)4-8/h3-4H,5-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyPVNPCDYLNUDWRI-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.13
Rot. Bonds4

About 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102658593) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102658593
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCn1cc(NC(=O)N2CC(C)(OCC(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O4/c1-11(19-5-9(16)17)6-15(7-11)10(18)13-8-3-12-14(2)4-8/h3-4H,5-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyPVNPCDYLNUDWRI-UHFFFAOYSA-N
XLogP0.13
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 102658593) is 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is Cn1cc(NC(=O)N2CC(C)(OCC(=O)O)C2)cn1.
What is the InChIKey of 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is PVNPCDYLNUDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(19-5-9(16)17)6-15(7-11)10(18)13-8-3-12-14(2)4-8/h3-4H,5-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(1-methylpyrazol-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).