5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C14H19NO5 — CID 120523934

IUPAC5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCCC1(C(=O)NCc2cc(C(=O)O)c(C)o2)CC1
InChIInChI=1S/C14H19NO5/c1-9-11(12(16)17)7-10(20-9)8-15-13(18)14(3-4-14)5-6-19-2/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIMIDQZMRUZMGRT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.72
Rot. Bonds7

About 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120523934) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120523934
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCCC1(C(=O)NCc2cc(C(=O)O)c(C)o2)CC1
InChIInChI=1S/C14H19NO5/c1-9-11(12(16)17)7-10(20-9)8-15-13(18)14(3-4-14)5-6-19-2/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIMIDQZMRUZMGRT-UHFFFAOYSA-N
XLogP1.72
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 120623331
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 65048515
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226939
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 61024579
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 120523934) is 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is COCCC1(C(=O)NCc2cc(C(=O)O)c(C)o2)CC1.
What is the InChIKey of 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is IMIDQZMRUZMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9-11(12(16)17)7-10(20-9)8-15-13(18)14(3-4-14)5-6-19-2/h7H,3-6,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120523934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).