2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid

C14H21NO2 — CID 114992186

IUPAC2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
SMILESCC(C)CN(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-15(4)14(3,13(16)17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyNGBIFLFMFYFGBJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds5

About 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid

2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid (PubChem CID 114992186) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
PubChem CID114992186
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
SMILESCC(C)CN(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-15(4)14(3,13(16)17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyNGBIFLFMFYFGBJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793
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(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
1-[tert-butyl(methyl)amino]propan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 2914823
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid (CID 114992186) is 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid is CC(C)CN(C)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid?
The InChIKey is NGBIFLFMFYFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-15(4)14(3,13(16)17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17).
What are the key properties of 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid?
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 114992186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).