(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid

C15H23NO2 — CID 28931162

IUPAC(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCC(C)Cc1ccc([C@@H](N)CCCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)10-12-6-8-13(9-7-12)14(16)4-3-5-15(17)18/h6-9,11,14H,3-5,10,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIZOTVJMHUMFJLD-AWEZNQCLSA-N
MW249.35 g/mol
LogP3.14
Rot. Bonds7

About (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid

(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid (PubChem CID 28931162) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
PubChem CID28931162
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
SMILESCC(C)Cc1ccc([C@@H](N)CCCC(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)10-12-6-8-13(9-7-12)14(16)4-3-5-15(17)18/h6-9,11,14H,3-5,10,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIZOTVJMHUMFJLD-AWEZNQCLSA-N
XLogP3.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.14
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
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
4-amino-4-[4-[2-(dimethylamino)ethyl]phenyl]butanoic acid
CID 117379638
methyl 5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoate
CID 82347165
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The IUPAC name of (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid (CID 28931162) is (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid.
What is the SMILES notation for (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The canonical SMILES for (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid is CC(C)Cc1ccc([C@@H](N)CCCC(=O)O)cc1.
What is the InChIKey of (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
The InChIKey is IZOTVJMHUMFJLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-12-6-8-13(9-7-12)14(16)4-3-5-15(17)18/h6-9,11,14H,3-5,10,16H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid?
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid is sourced from PubChem (CID 28931162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).