2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid

C16H25NO2 — CID 62270476

IUPAC2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
SMILESCCC(C)CN(C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-13(2)11-17(4)12-16(3,15(18)19)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyRSYWEBGRTKOLOK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds7

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

2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid (PubChem CID 62270476) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
PubChem CID62270476
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
SMILESCCC(C)CN(C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-13(2)11-17(4)12-16(3,15(18)19)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyRSYWEBGRTKOLOK-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
4-[butan-2-yl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437636
1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
CID 43796143
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid (CID 62270476) is 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid is CCC(C)CN(C)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid?
The InChIKey is RSYWEBGRTKOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13(2)11-17(4)12-16(3,15(18)19)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid?
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62270476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).