2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid

C15H23NO2 — CID 114992793

IUPAC2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
SMILESCCC(CC)N(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)16(4)15(3,14(17)18)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyHIQWLFCAZOAQJR-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds6

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

2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid (PubChem CID 114992793) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
PubChem CID114992793
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
SMILESCCC(CC)N(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-13(6-2)16(4)15(3,14(17)18)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyHIQWLFCAZOAQJR-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
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(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051
2-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]propanoic acid
CID 114994570
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
CID 112659179
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid (CID 114992793) is 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid is CCC(CC)N(C)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid?
The InChIKey is HIQWLFCAZOAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(6-2)16(4)15(3,14(17)18)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid?
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 114992793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).