3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid

C14H15NO3 — CID 170872895

IUPAC3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid
SMILESCc1ccc(-c2ccccc2C(N)CC(=O)O)o1
InChIInChI=1S/C14H15NO3/c1-9-6-7-13(18-9)11-5-3-2-4-10(11)12(15)8-14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17)
InChIKeyWFKSQMSDGBBFEP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid

3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid (PubChem CID 170872895) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid
PubChem CID170872895
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid
SMILESCc1ccc(-c2ccccc2C(N)CC(=O)O)o1
InChIInChI=1S/C14H15NO3/c1-9-6-7-13(18-9)11-5-3-2-4-10(11)12(15)8-14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17)
InChIKeyWFKSQMSDGBBFEP-UHFFFAOYSA-N
XLogP2.73
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]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

3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
CID 130725471
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219
3-amino-3-[2-(1,2-dimethoxyethyl)phenyl]propanoic acid
CID 117385801
(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid (CID 170872895) is 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid is Cc1ccc(-c2ccccc2C(N)CC(=O)O)o1.
What is the InChIKey of 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid?
The InChIKey is WFKSQMSDGBBFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-6-7-13(18-9)11-5-3-2-4-10(11)12(15)8-14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid?
3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 170872895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).