5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid

C15H23NO2 — CID 116937856

IUPAC5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
SMILESCc1ccc(C(C)C)cc1C(N)CCCC(=O)O
InChIInChI=1S/C15H23NO2/c1-10(2)12-8-7-11(3)13(9-12)14(16)5-4-6-15(17)18/h7-10,14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyJTCKBQSSBXQLNW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.37
Rot. Bonds6

About 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid

5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid (PubChem CID 116937856) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
PubChem CID116937856
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
SMILESCc1ccc(C(C)C)cc1C(N)CCCC(=O)O
InChIInChI=1S/C15H23NO2/c1-10(2)12-8-7-11(3)13(9-12)14(16)5-4-6-15(17)18/h7-10,14H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyJTCKBQSSBXQLNW-UHFFFAOYSA-N
XLogP3.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
methyl 5-amino-5-[2,4-di(propan-2-yl)phenyl]pentanoate
CID 60860655
5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
CID 112516981
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid (CID 116937856) is 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid is Cc1ccc(C(C)C)cc1C(N)CCCC(=O)O.
What is the InChIKey of 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid?
The InChIKey is JTCKBQSSBXQLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12-8-7-11(3)13(9-12)14(16)5-4-6-15(17)18/h7-10,14H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid?
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid is sourced from PubChem (CID 116937856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).