2-amino-4-(4-butan-2-ylphenyl)butanoic acid

C14H21NO2 — CID 112511842

IUPAC2-amino-4-(4-butan-2-ylphenyl)butanoic acid
SMILESCCC(C)c1ccc(CCC(N)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-3-10(2)12-7-4-11(5-8-12)6-9-13(15)14(16)17/h4-5,7-8,10,13H,3,6,9,15H2,1-2H3,(H,16,17)
InChIKeySXPTZHOXAGNPFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About 2-amino-4-(4-butan-2-ylphenyl)butanoic acid

2-amino-4-(4-butan-2-ylphenyl)butanoic acid (PubChem CID 112511842) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-4-(4-butan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-butan-2-ylphenyl)butanoic acid
PubChem CID112511842
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-4-(4-butan-2-ylphenyl)butanoic acid
SMILESCCC(C)c1ccc(CCC(N)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-3-10(2)12-7-4-11(5-8-12)6-9-13(15)14(16)17/h4-5,7-8,10,13H,3,6,9,15H2,1-2H3,(H,16,17)
InChIKeySXPTZHOXAGNPFO-UHFFFAOYSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
(2R)-2-amino-4-(4-iodophenyl)butanoic acid
CID 172894210
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
3-amino-5-phenylpentan-2-one;propane
CID 143988472
2-amino-5-(4-ethylsulfanylphenyl)pentanoic acid
CID 115005516
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-butan-2-ylphenyl)butanoic acid?
The IUPAC name of 2-amino-4-(4-butan-2-ylphenyl)butanoic acid (CID 112511842) is 2-amino-4-(4-butan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(4-butan-2-ylphenyl)butanoic acid?
The canonical SMILES for 2-amino-4-(4-butan-2-ylphenyl)butanoic acid is CCC(C)c1ccc(CCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-4-(4-butan-2-ylphenyl)butanoic acid?
The InChIKey is SXPTZHOXAGNPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10(2)12-7-4-11(5-8-12)6-9-13(15)14(16)17/h4-5,7-8,10,13H,3,6,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-4-(4-butan-2-ylphenyl)butanoic acid?
2-amino-4-(4-butan-2-ylphenyl)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 112511842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).