(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid

C13H19NO4 — CID 93054886

IUPAC(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)o1
InChIInChI=1S/C13H19NO4/c1-5-8-6-7-9(18-8)11(15)14-10(12(16)17)13(2,3)4/h6-7,10H,5H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyLOLNVSDVOYGNEY-JTQLQIEISA-N
MW253.30 g/mol
LogP2.07
Rot. Bonds4

About (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 93054886) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID93054886
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)o1
InChIInChI=1S/C13H19NO4/c1-5-8-6-7-9(18-8)11(15)14-10(12(16)17)13(2,3)4/h6-7,10H,5H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyLOLNVSDVOYGNEY-JTQLQIEISA-N
XLogP2.07
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic 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

(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61144631
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
(2R)-3,3-dimethyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 93054958
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
(2S)-3,3-dimethyl-2-(1,2-oxazole-5-carbonylamino)butanoic acid
CID 61143807
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-5-methylsulfanylfuran-2-carboxamide
CID 86948803
(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 93054886) is (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid is CCc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)o1.
What is the InChIKey of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is LOLNVSDVOYGNEY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-8-6-7-9(18-8)11(15)14-10(12(16)17)13(2,3)4/h6-7,10H,5H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 93054886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).