(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid

C16H17NO4 — CID 801853

IUPAC(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(C)o1
InChIInChI=1S/C16H17NO4/c1-10-8-13(11(2)21-10)15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyQUAPVNIKMOMEAG-CQSZACIVSA-N
MW287.31 g/mol
LogP2.32
Rot. Bonds5

About (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 801853) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID801853
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(C)o1
InChIInChI=1S/C16H17NO4/c1-10-8-13(11(2)21-10)15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyQUAPVNIKMOMEAG-CQSZACIVSA-N
XLogP2.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic 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-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 3667995
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119367357
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
(2R)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 46191374
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43170130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid (CID 801853) is (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid is Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(C)o1.
What is the InChIKey of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is QUAPVNIKMOMEAG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-8-13(11(2)21-10)15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 801853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).