5-amino-5-(4-propan-2-ylphenyl)pentanoic acid

C14H21NO2 — CID 54908179

IUPAC5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(C(N)CCCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)13(15)4-3-5-14(16)17/h6-10,13H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyUGBGYVKSRYDCBN-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.06
Rot. Bonds6

About 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid

5-amino-5-(4-propan-2-ylphenyl)pentanoic acid (PubChem CID 54908179) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
PubChem CID54908179
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(C(N)CCCC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)13(15)4-3-5-14(16)17/h6-10,13H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyUGBGYVKSRYDCBN-UHFFFAOYSA-N
XLogP3.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid
CID 165351774
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid (CID 54908179) is 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid is CC(C)c1ccc(C(N)CCCC(=O)O)cc1.
What is the InChIKey of 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid?
The InChIKey is UGBGYVKSRYDCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)11-6-8-12(9-7-11)13(15)4-3-5-14(16)17/h6-10,13H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid?
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(4-propan-2-ylphenyl)pentanoic acid is sourced from PubChem (CID 54908179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).