(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate

C11H15NO2 — CID 6921447

IUPAC(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate
SMILESCc1ccc(C)c([C@H]([NH3+])CC(=O)[O-])c1
InChIInChI=1S/C11H15NO2/c1-7-3-4-8(2)9(5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyORBDRZAPRLVKDA-SNVBAGLBSA-N
MW193.25 g/mol
LogP-0.27
Rot. Bonds3

About (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate

(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate (PubChem CID 6921447) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate
PubChem CID6921447
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate
SMILESCc1ccc(C)c([C@H]([NH3+])CC(=O)[O-])c1
InChIInChI=1S/C11H15NO2/c1-7-3-4-8(2)9(5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyORBDRZAPRLVKDA-SNVBAGLBSA-N
XLogP-0.27
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate 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

(4R)-4-azaniumyl-4-(2,4-dimethylphenyl)butanoate
CID 28744388
(3S)-3-azaniumyl-3-(2,4-dihydroxyphenyl)propanoate
CID 9152249
(3R)-3-azaniumyl-3-(2-ethylphenyl)propanoate
CID 7022685
[(1S)-1-(2,4-dimethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046984
3-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82079612
(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
CID 7062294
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
(E,3S)-3-(2,5-dimethylphenyl)hex-4-enoic acid
CID 157245480
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
3-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 135184841
ethyl (2S)-3-acetyloxy-2-(2,5-dimethylphenyl)propanoate
CID 101354732

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate?
The IUPAC name of (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate (CID 6921447) is (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate.
What is the SMILES notation for (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate?
The canonical SMILES for (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate is Cc1ccc(C)c([C@H]([NH3+])CC(=O)[O-])c1.
What is the InChIKey of (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate?
The InChIKey is ORBDRZAPRLVKDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-4-8(2)9(5-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate?
(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate has a molecular weight of 193.25 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 6921447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).