2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid

C14H19NO5 — CID 119211315

IUPAC2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)o1
InChIInChI=1S/C14H19NO5/c1-2-11-3-4-12(20-11)14(18)15(9-13(16)17)10-5-7-19-8-6-10/h3-4,10H,2,5-9H2,1H3,(H,16,17)
InChIKeyZASGXXWEUQPMFD-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.55
Rot. Bonds5

About 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid

2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 119211315) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID119211315
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)o1
InChIInChI=1S/C14H19NO5/c1-2-11-3-4-12(20-11)14(18)15(9-13(16)17)10-5-7-19-8-6-10/h3-4,10H,2,5-9H2,1H3,(H,16,17)
InChIKeyZASGXXWEUQPMFD-UHFFFAOYSA-N
XLogP1.55
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
2-[cyclopropyl-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 60827221
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 126795251
2-[(5-chloro-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 122146429
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 97051830
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 119211315) is 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid is CCc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is ZASGXXWEUQPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-11-3-4-12(20-11)14(18)15(9-13(16)17)10-5-7-19-8-6-10/h3-4,10H,2,5-9H2,1H3,(H,16,17).
What are the key properties of 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).