5-amino-4-(4-tert-butylphenyl)pentanoic acid

C15H23NO2 — CID 112518671

IUPAC5-amino-4-(4-tert-butylphenyl)pentanoic acid
SMILESCC(C)(C)c1ccc(C(CN)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-7-4-11(5-8-13)12(10-16)6-9-14(17)18/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyOZVDWDMYQHLJSI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.89
Rot. Bonds5

About 5-amino-4-(4-tert-butylphenyl)pentanoic acid

5-amino-4-(4-tert-butylphenyl)pentanoic acid (PubChem CID 112518671) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-amino-4-(4-tert-butylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-4-(4-tert-butylphenyl)pentanoic acid
PubChem CID112518671
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-amino-4-(4-tert-butylphenyl)pentanoic acid
SMILESCC(C)(C)c1ccc(C(CN)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)13-7-4-11(5-8-13)12(10-16)6-9-14(17)18/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyOZVDWDMYQHLJSI-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
5-(4-tert-butylphenyl)-5-hydroxy-4-(methylamino)pentanoic acid
CID 82348185
3-(4-tert-butylphenyl)-5-methylhexanoic acid
CID 112501917
4-(4-tert-butylphenyl)sulfanylbutanoic acid
CID 20986950
4-amino-4-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]butanoic acid
CID 117115977
3-(4-tert-butylphenyl)-3-chloropropanoic acid
CID 82366777
2-(4-tert-butylphenyl)-5-oxohexanoic acid
CID 70455282
2-[[3-(4-tert-butylphenyl)-3-phenylpropyl]amino]acetic acid
CID 21019854
4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65298089
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-tert-butylphenyl)pentanoic acid?
The IUPAC name of 5-amino-4-(4-tert-butylphenyl)pentanoic acid (CID 112518671) is 5-amino-4-(4-tert-butylphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-4-(4-tert-butylphenyl)pentanoic acid?
The canonical SMILES for 5-amino-4-(4-tert-butylphenyl)pentanoic acid is CC(C)(C)c1ccc(C(CN)CCC(=O)O)cc1.
What is the InChIKey of 5-amino-4-(4-tert-butylphenyl)pentanoic acid?
The InChIKey is OZVDWDMYQHLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)13-7-4-11(5-8-13)12(10-16)6-9-14(17)18/h4-5,7-8,12H,6,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-4-(4-tert-butylphenyl)pentanoic acid?
5-amino-4-(4-tert-butylphenyl)pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-tert-butylphenyl)pentanoic acid is sourced from PubChem (CID 112518671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).