5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C13H18N2O5 — CID 120821756

IUPAC5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C(N)=O)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-4-8-7(13(18)19)5-9(20-8)12(17)15-10(6(2)3)11(14)16/h5-6,10H,4H2,1-3H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeySNFZNGZKZNEWKF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.78
Rot. Bonds6

About 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821756) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821756
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C(N)=O)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-4-8-7(13(18)19)5-9(20-8)12(17)15-10(6(2)3)11(14)16/h5-6,10H,4H2,1-3H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeySNFZNGZKZNEWKF-UHFFFAOYSA-N
XLogP0.78
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
CID 120820706
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
CID 120821852
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821177
5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821756) is 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NC(C(N)=O)C(C)C)cc1C(=O)O.
What is the InChIKey of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is SNFZNGZKZNEWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-8-7(13(18)19)5-9(20-8)12(17)15-10(6(2)3)11(14)16/h5-6,10H,4H2,1-3H3,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).