(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid

C14H21NO2 — CID 28744369

IUPAC(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
SMILESCC(C)(C)c1ccc([C@H](N)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyISYXEKKKCLKWNK-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.85
Rot. Bonds4

About (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid

(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid (PubChem CID 28744369) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
PubChem CID28744369
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
SMILESCC(C)(C)c1ccc([C@H](N)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyISYXEKKKCLKWNK-GFCCVEGCSA-N
XLogP2.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]butanoic acid
CID 117115977
5-amino-4-(4-tert-butylphenyl)pentanoic acid
CID 112518671
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
5-(4-tert-butylphenyl)-5-hydroxy-4-(methylamino)pentanoic acid
CID 82348185

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid?
The IUPAC name of (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid (CID 28744369) is (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid.
What is the SMILES notation for (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid?
The canonical SMILES for (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid is CC(C)(C)c1ccc([C@H](N)CCC(=O)O)cc1.
What is the InChIKey of (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid?
The InChIKey is ISYXEKKKCLKWNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid?
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid is sourced from PubChem (CID 28744369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).