2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

C10H18N2O4 — CID 102657679

IUPAC2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)NC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)11-9(15)12-5-10(3,6-12)16-4-8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyITKJMUQZQHWGCF-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657679) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657679
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)NC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)11-9(15)12-5-10(3,6-12)16-4-8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyITKJMUQZQHWGCF-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid (CID 102657679) is 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is CC(C)NC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is ITKJMUQZQHWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)11-9(15)12-5-10(3,6-12)16-4-8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).