4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid

C14H19NO5 — CID 115438391

IUPAC4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)o1
InChIInChI=1S/C14H19NO5/c1-2-10-3-4-11(20-10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h3-4H,2,5-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXRKOVKYZFUFQNF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.45
Rot. Bonds5

About 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115438391) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115438391
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)o1
InChIInChI=1S/C14H19NO5/c1-2-10-3-4-11(20-10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h3-4H,2,5-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXRKOVKYZFUFQNF-UHFFFAOYSA-N
XLogP1.45
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
4-[[[4-(phenoxymethyl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541584
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541563
4-[[(4-amino-3-chlorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115439858
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 115438391) is 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid is CCc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)o1.
What is the InChIKey of 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is XRKOVKYZFUFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-10-3-4-11(20-10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h3-4H,2,5-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).