3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid

C15H15NO5 — CID 16771699

IUPAC3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-6-7-21-13(9)14(18)16-12(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,12,17H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZYXYQGITMZNZJD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.72
Rot. Bonds5

About 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid

3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 16771699) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
PubChem CID16771699
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-6-7-21-13(9)14(18)16-12(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,12,17H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZYXYQGITMZNZJD-UHFFFAOYSA-N
XLogP1.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic 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-[(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-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
CID 81076747
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 16770506

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid (CID 16771699) is 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid is Cc1ccoc1C(=O)NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is ZYXYQGITMZNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-6-7-21-13(9)14(18)16-12(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,12,17H,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 16771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).