2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid

C15H21NO4 — CID 102660117

IUPAC2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid
SMILESCC1CC1c1ccc(CN2CC(C)(OCC(=O)O)C2)o1
InChIInChI=1S/C15H21NO4/c1-10-5-12(10)13-4-3-11(20-13)6-16-8-15(2,9-16)19-7-14(17)18/h3-4,10,12H,5-9H2,1-2H3,(H,17,18)
InChIKeyVYXLXNFKYTWNJY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.08
Rot. Bonds6

About 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102660117) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid
PubChem CID102660117
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid
SMILESCC1CC1c1ccc(CN2CC(C)(OCC(=O)O)C2)o1
InChIInChI=1S/C15H21NO4/c1-10-5-12(10)13-4-3-11(20-13)6-16-8-15(2,9-16)19-7-14(17)18/h3-4,10,12H,5-9H2,1-2H3,(H,17,18)
InChIKeyVYXLXNFKYTWNJY-UHFFFAOYSA-N
XLogP2.08
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid (CID 102660117) is 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid is CC1CC1c1ccc(CN2CC(C)(OCC(=O)O)C2)o1.
What is the InChIKey of 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is VYXLXNFKYTWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-5-12(10)13-4-3-11(20-13)6-16-8-15(2,9-16)19-7-14(17)18/h3-4,10,12H,5-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102660117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).