5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid

C11H15NO5 — CID 104607291

IUPAC5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO5/c1-7(5-16-3)12(2)10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyBCMAABFBGKJJAM-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.08
Rot. Bonds5

About 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid

5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607291) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607291
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H15NO5/c1-7(5-16-3)12(2)10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyBCMAABFBGKJJAM-UHFFFAOYSA-N
XLogP1.08
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 113432257
5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
CID 104607143
5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
CID 104607461
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate
CID 97306358
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607428
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111

Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid (CID 104607291) is 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid is COCC(C)N(C)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is BCMAABFBGKJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7(5-16-3)12(2)10(13)9-4-8(6-17-9)11(14)15/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid?
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).