2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid

C13H17NO3 — CID 62818448

IUPAC2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
SMILESCN(C(=O)Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H17NO3/c1-13(2,12(16)17)14(3)11(15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyDSSCXILEWKGTAI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid

2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid (PubChem CID 62818448) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
PubChem CID62818448
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
SMILESCN(C(=O)Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H17NO3/c1-13(2,12(16)17)14(3)11(15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyDSSCXILEWKGTAI-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 55123970
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 119200590
2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200733
2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200487
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200149
2-[3-(2-fluorophenyl)butanoyl-methylamino]-2-methylpropanoic acid
CID 119200755
2-[3-(3-bromophenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817750
2-methyl-2-(3-phenylprop-1-en-2-yl)propanedioic acid
CID 11948255
N'-acetyl-N,N'-dimethyl-2-phenylacetohydrazide
CID 15121331
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid (CID 62818448) is 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid is CN(C(=O)Cc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid?
The InChIKey is DSSCXILEWKGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,12(16)17)14(3)11(15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 62818448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).