2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid

C16H25NO2 — CID 122039825

IUPAC2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-4-5-15(16(18)19)17-11-10-13-6-8-14(9-7-13)12(2)3/h6-9,12,15,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyCLYLWUOFWWQFBC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds8

About 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid

2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid (PubChem CID 122039825) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
PubChem CID122039825
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
SMILESCCCC(NCCc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-4-5-15(16(18)19)17-11-10-13-6-8-14(9-7-13)12(2)3/h6-9,12,15,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyCLYLWUOFWWQFBC-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
2-[(3,4-dimethylphenyl)methylamino]pentanoic acid
CID 54977543
(2S,3S)-3-methyl-2-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]pentanoic acid
CID 122100003
5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
CID 122045940
2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
CID 115353272
2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
CID 69141762
(2R)-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 107562981
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid (CID 122039825) is 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid is CCCC(NCCc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The InChIKey is CLYLWUOFWWQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-15(16(18)19)17-11-10-13-6-8-14(9-7-13)12(2)3/h6-9,12,15,17H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 122039825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).