(3R)-3-amino-3-(4-propylphenyl)propanoic acid

C12H17NO2 — CID 95997919

IUPAC(3R)-3-amino-3-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12(14)15/h4-7,11H,2-3,8,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyJPRNUAIHZPMLDS-LLVKDONJSA-N
MW207.27 g/mol
LogP2.11
Rot. Bonds5

About (3R)-3-amino-3-(4-propylphenyl)propanoic acid

(3R)-3-amino-3-(4-propylphenyl)propanoic acid (PubChem CID 95997919) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-propylphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-propylphenyl)propanoic acid
PubChem CID95997919
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R)-3-amino-3-(4-propylphenyl)propanoic acid
SMILESCCCc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12(14)15/h4-7,11H,2-3,8,13H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyJPRNUAIHZPMLDS-LLVKDONJSA-N
XLogP2.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-3-(4-propylphenyl)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-(3-hydroxypropyl)phenyl]propanoic acid
CID 117115833
3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide
CID 116849205
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115181300
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
2-(4-propylphenyl)propanoic acid
CID 14880971

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-propylphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-propylphenyl)propanoic acid (CID 95997919) is (3R)-3-amino-3-(4-propylphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-propylphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-propylphenyl)propanoic acid is CCCc1ccc([C@H](N)CC(=O)O)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-propylphenyl)propanoic acid?
The InChIKey is JPRNUAIHZPMLDS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12(14)15/h4-7,11H,2-3,8,13H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-propylphenyl)propanoic acid?
(3R)-3-amino-3-(4-propylphenyl)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-propylphenyl)propanoic acid is sourced from PubChem (CID 95997919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).