4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid

C16H25NO2 — CID 112517187

IUPAC4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
SMILESCc1ccc(C(C)C)cc1C(CC(=O)O)CN(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)13-7-6-12(3)15(8-13)14(9-16(18)19)10-17(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,19)
InChIKeyUOQFGGRXBWDSOO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds6

About 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid

4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid (PubChem CID 112517187) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
PubChem CID112517187
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
SMILESCc1ccc(C(C)C)cc1C(CC(=O)O)CN(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)13-7-6-12(3)15(8-13)14(9-16(18)19)10-17(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,19)
InChIKeyUOQFGGRXBWDSOO-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
CID 112516981
3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 116859807
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-cyclopropyl-3-[2-(dimethylamino)-5-propan-2-ylphenyl]propanoic acid
CID 117107854

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid (CID 112517187) is 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid is Cc1ccc(C(C)C)cc1C(CC(=O)O)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The InChIKey is UOQFGGRXBWDSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)13-7-6-12(3)15(8-13)14(9-16(18)19)10-17(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,19).
What are the key properties of 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 112517187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).