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

C13H18N2O4 — CID 116683268

IUPAC2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(CNC(=O)N2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C13H18N2O4/c1-8-3-4-11(19-8)5-14-13(18)15-6-10(7-15)9(2)12(16)17/h3-4,9-10H,5-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPTNKQURYRQTTHX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.45
Rot. Bonds4

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

2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683268) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683268
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(CNC(=O)N2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C13H18N2O4/c1-8-3-4-11(19-8)5-14-13(18)15-6-10(7-15)9(2)12(16)17/h3-4,9-10H,5-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPTNKQURYRQTTHX-UHFFFAOYSA-N
XLogP1.45
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 116683268) is 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid is Cc1ccc(CNC(=O)N2CC(C(C)C(=O)O)C2)o1.
What is the InChIKey of 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is PTNKQURYRQTTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-3-4-11(19-8)5-14-13(18)15-6-10(7-15)9(2)12(16)17/h3-4,9-10H,5-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).