4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

C12H16N2O5 — CID 43357141

IUPAC4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1oc(C)c(C(=O)NC(CC(N)=O)C(=O)O)c1C
InChIInChI=1S/C12H16N2O5/c1-5-6(2)19-7(3)10(5)11(16)14-8(12(17)18)4-9(13)15/h8H,4H2,1-3H3,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyZSQHPEDZHLDMOV-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.26
Rot. Bonds5

About 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 43357141) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
PubChem CID43357141
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1oc(C)c(C(=O)NC(CC(N)=O)C(=O)O)c1C
InChIInChI=1S/C12H16N2O5/c1-5-6(2)19-7(3)10(5)11(16)14-8(12(17)18)4-9(13)15/h8H,4H2,1-3H3,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyZSQHPEDZHLDMOV-UHFFFAOYSA-N
XLogP0.26
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic 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

4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 43183438
(2R)-4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 28778450
(2S)-4-amino-2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110836459
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
(2S)-4-amino-2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-4-oxobutanoic acid
CID 63715213
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057575
(2S)-2-[(5-bromo-2,4-dimethylfuran-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 166307721
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
CID 43209858
N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151428

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (CID 43357141) is 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is Cc1oc(C)c(C(=O)NC(CC(N)=O)C(=O)O)c1C.
What is the InChIKey of 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is ZSQHPEDZHLDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-5-6(2)19-7(3)10(5)11(16)14-8(12(17)18)4-9(13)15/h8H,4H2,1-3H3,(H2,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43357141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).