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

C15H23NO2 — CID 62961688

IUPAC4-amino-5-(4-tert-butylphenyl)pentanoic acid
SMILESCC(C)(C)c1ccc(CC(N)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)12-6-4-11(5-7-12)10-13(16)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyWLRMJNMGLYBYDT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds5

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

4-amino-5-(4-tert-butylphenyl)pentanoic acid (PubChem CID 62961688) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-5-(4-tert-butylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-tert-butylphenyl)pentanoic acid
PubChem CID62961688
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-5-(4-tert-butylphenyl)pentanoic acid
SMILESCC(C)(C)c1ccc(CC(N)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)12-6-4-11(5-7-12)10-13(16)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyWLRMJNMGLYBYDT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
(4R)-4-amino-5-[4-(diaminomethylideneamino)phenyl]pentanoic acid
CID 66644748
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
5-amino-6-phenylhexan-2-one
CID 90094782
5-amino-4-(4-tert-butylphenyl)pentanoic acid
CID 112518671
4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 62961520

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-tert-butylphenyl)pentanoic acid?
The IUPAC name of 4-amino-5-(4-tert-butylphenyl)pentanoic acid (CID 62961688) is 4-amino-5-(4-tert-butylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(4-tert-butylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-5-(4-tert-butylphenyl)pentanoic acid is CC(C)(C)c1ccc(CC(N)CCC(=O)O)cc1.
What is the InChIKey of 4-amino-5-(4-tert-butylphenyl)pentanoic acid?
The InChIKey is WLRMJNMGLYBYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)12-6-4-11(5-7-12)10-13(16)8-9-14(17)18/h4-7,13H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-5-(4-tert-butylphenyl)pentanoic acid?
4-amino-5-(4-tert-butylphenyl)pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-tert-butylphenyl)pentanoic acid is sourced from PubChem (CID 62961688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).