2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid

C13H19NO2 — CID 13406788

IUPAC2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13(15)16/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUOEVBYYIYAIKDF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid

2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid (PubChem CID 13406788) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
PubChem CID13406788
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)Cc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13(15)16/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyUOEVBYYIYAIKDF-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
CID 158951284
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid (CID 13406788) is 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid is CC(C)Cc1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid?
The InChIKey is UOEVBYYIYAIKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13(15)16/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid?
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid is sourced from PubChem (CID 13406788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).