3-amino-3-(4-ethylphenyl)propanoic acid

C11H15NO2 — CID 584129

IUPAC3-amino-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKeyCZOSHSPOVINZEF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-3-(4-ethylphenyl)propanoic acid

3-amino-3-(4-ethylphenyl)propanoic acid (PubChem CID 584129) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-3-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-ethylphenyl)propanoic acid
PubChem CID584129
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-amino-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKeyCZOSHSPOVINZEF-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-ethylphenyl)propanoic acid (CID 584129) is 3-amino-3-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-ethylphenyl)propanoic acid is CCc1ccc(C(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-3-(4-ethylphenyl)propanoic acid?
The InChIKey is CZOSHSPOVINZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(4-ethylphenyl)propanoic acid?
3-amino-3-(4-ethylphenyl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 584129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).