3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid

C16H25NO2 — CID 55055318

IUPAC3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCN(CC(C)(C)C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-17(5)12-16(4,14(18)19)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,18,19)
InChIKeySDZVYKKBFFDRHW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds5

About 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid

3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 55055318) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID55055318
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCN(CC(C)(C)C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-17(5)12-16(4,14(18)19)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,18,19)
InChIKeySDZVYKKBFFDRHW-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid (CID 55055318) is 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid is CN(CC(C)(C)C)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is SDZVYKKBFFDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)11-17(5)12-16(4,14(18)19)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,18,19).
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 55055318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).