2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid

C18H19NO6 — CID 56909008

IUPAC2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid
SMILESCOc1ccc(-c2ccc(C(=O)N3CCOCC3CC(=O)O)o2)cc1
InChIInChI=1S/C18H19NO6/c1-23-14-4-2-12(3-5-14)15-6-7-16(25-15)18(22)19-8-9-24-11-13(19)10-17(20)21/h2-7,13H,8-11H2,1H3,(H,20,21)
InChIKeyZDJAVAOLDXMVQK-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid

2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid (PubChem CID 56909008) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid
PubChem CID56909008
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid
SMILESCOc1ccc(-c2ccc(C(=O)N3CCOCC3CC(=O)O)o2)cc1
InChIInChI=1S/C18H19NO6/c1-23-14-4-2-12(3-5-14)15-6-7-16(25-15)18(22)19-8-9-24-11-13(19)10-17(20)21/h2-7,13H,8-11H2,1H3,(H,20,21)
InChIKeyZDJAVAOLDXMVQK-UHFFFAOYSA-N
XLogP2.27
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid (CID 56909008) is 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid is COc1ccc(-c2ccc(C(=O)N3CCOCC3CC(=O)O)o2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid?
The InChIKey is ZDJAVAOLDXMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-23-14-4-2-12(3-5-14)15-6-7-16(25-15)18(22)19-8-9-24-11-13(19)10-17(20)21/h2-7,13H,8-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid?
2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56909008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).