2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

C15H19NO5 — CID 120976917

IUPAC2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C2COCCN2C(=O)C2CCC2C(=O)O)o1
InChIInChI=1S/C15H19NO5/c1-9-2-5-13(21-9)12-8-20-7-6-16(12)14(17)10-3-4-11(10)15(18)19/h2,5,10-12H,3-4,6-8H2,1H3,(H,18,19)
InChIKeyZYVLPATWLIMCAF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.60
Rot. Bonds3

About 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120976917) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120976917
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C2COCCN2C(=O)C2CCC2C(=O)O)o1
InChIInChI=1S/C15H19NO5/c1-9-2-5-13(21-9)12-8-20-7-6-16(12)14(17)10-3-4-11(10)15(18)19/h2,5,10-12H,3-4,6-8H2,1H3,(H,18,19)
InChIKeyZYVLPATWLIMCAF-UHFFFAOYSA-N
XLogP1.60
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (CID 120976917) is 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is Cc1ccc(C2COCCN2C(=O)C2CCC2C(=O)O)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZYVLPATWLIMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-2-5-13(21-9)12-8-20-7-6-16(12)14(17)10-3-4-11(10)15(18)19/h2,5,10-12H,3-4,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).