(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid

C10H13NO4 — CID 131887294

IUPAC(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid
SMILESCCc1ccc(C(=O)C[C@H](N)C(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-2-6-3-4-9(15-6)8(12)5-7(11)10(13)14/h3-4,7H,2,5,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyZXHOTUXKSCUUES-ZETCQYMHSA-N
MW211.22 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid

(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid (PubChem CID 131887294) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid
PubChem CID131887294
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid
SMILESCCc1ccc(C(=O)C[C@H](N)C(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-2-6-3-4-9(15-6)8(12)5-7(11)10(13)14/h3-4,7H,2,5,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyZXHOTUXKSCUUES-ZETCQYMHSA-N
XLogP0.83
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-(5-ethylfuran-2-yl)-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

1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
1-(5-ethylfuran-2-yl)-3-methylsulfonylpropan-1-one
CID 114969554
4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one
CID 123170386
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid (CID 131887294) is (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid is CCc1ccc(C(=O)C[C@H](N)C(=O)O)o1.
What is the InChIKey of (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid?
The InChIKey is ZXHOTUXKSCUUES-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-6-3-4-9(15-6)8(12)5-7(11)10(13)14/h3-4,7H,2,5,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid?
(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid is sourced from PubChem (CID 131887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).