(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid

C16H17NO4 — CID 129469603

IUPAC(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid
SMILESCC[C@](NC(=O)c1coc(C)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-3-16(15(19)20,13-7-5-4-6-8-13)17-14(18)12-9-11(2)21-10-12/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)/t16-/m1/s1
InChIKeyWULGDFNVFLRXGL-MRXNPFEDSA-N
MW287.32 g/mol
LogP2.71
Rot. Bonds5

About (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid

(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid (PubChem CID 129469603) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid
PubChem CID129469603
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid
SMILESCC[C@](NC(=O)c1coc(C)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-3-16(15(19)20,13-7-5-4-6-8-13)17-14(18)12-9-11(2)21-10-12/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)/t16-/m1/s1
InChIKeyWULGDFNVFLRXGL-MRXNPFEDSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid?
The IUPAC name of (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid (CID 129469603) is (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid is CC[C@](NC(=O)c1coc(C)c1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid?
The InChIKey is WULGDFNVFLRXGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-16(15(19)20,13-7-5-4-6-8-13)17-14(18)12-9-11(2)21-10-12/h4-10H,3H2,1-2H3,(H,17,18)(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid?
(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 129469603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).