2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid

C13H17NO3 — CID 55068083

IUPAC2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-5-4-6-10(7-9)8-11(15)14-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIXCZFHICWDBXRP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 55068083) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
PubChem CID55068083
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-5-4-6-10(7-9)8-11(15)14-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIXCZFHICWDBXRP-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 65261339
N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114307937
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid (CID 55068083) is 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid is Cc1cccc(CC(=O)NC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is IXCZFHICWDBXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-5-4-6-10(7-9)8-11(15)14-13(2,3)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55068083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).