4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C12H17NO4 — CID 103498062

IUPAC4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H17NO4/c1-8(9(2)12(15)16)11(14)13(3)6-10-4-5-17-7-10/h4-5,7-9H,6H2,1-3H3,(H,15,16)
InChIKeyFAMBVFBJQFFOIE-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.59
Rot. Bonds5

About 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498062) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498062
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H17NO4/c1-8(9(2)12(15)16)11(14)13(3)6-10-4-5-17-7-10/h4-5,7-9H,6H2,1-3H3,(H,15,16)
InChIKeyFAMBVFBJQFFOIE-UHFFFAOYSA-N
XLogP1.59
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 55208173
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107838816
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
2-(furan-3-ylmethyl)-3-methylbutanoic acid
CID 83173003

Frequently Asked Questions

What is the IUPAC name of 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498062) is 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)Cc1ccoc1.
What is the InChIKey of 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is FAMBVFBJQFFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(9(2)12(15)16)11(14)13(3)6-10-4-5-17-7-10/h4-5,7-9H,6H2,1-3H3,(H,15,16).
What are the key properties of 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).