2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid

C13H17NO2 — CID 154659493

IUPAC2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
SMILESC=C(C)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
InChIKeyUGCVECFDCAZPKN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.90
Rot. Bonds5

About 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid

2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid (PubChem CID 154659493) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
PubChem CID154659493
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
SMILESC=C(C)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
InChIKeyUGCVECFDCAZPKN-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[4-(prop-1-en-2-ylamino)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-[4-(2,4-dimethylpent-4-enoylamino)phenyl]-2-methylpropanoic acid
CID 120690043
2-methyl-3-[4-[(2-methylsulfanylacetyl)amino]phenyl]propanoic acid
CID 120540736
(2S)-2-methyl-3-[4-(4-oxopent-1-en-2-yl)phenyl]propanoic acid
CID 89268419
3-[4-(2,3-dimethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541285
3-[4-(3-ethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541519
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
3-[4-[(1-ethylcyclopentanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid (CID 154659493) is 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid is C=C(C)Nc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid?
The InChIKey is UGCVECFDCAZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid?
2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 154659493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).