2-methyl-2-(3-phenylpropanoylamino)propanoic acid

C13H17NO3 — CID 12973816

IUPAC2-methyl-2-(3-phenylpropanoylamino)propanoic acid
SMILESCC(C)(NC(=O)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO3/c1-13(2,12(16)17)14-11(15)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZLIKXSJUWQYAIZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds5

About 2-methyl-2-(3-phenylpropanoylamino)propanoic acid

2-methyl-2-(3-phenylpropanoylamino)propanoic acid (PubChem CID 12973816) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-methyl-2-(3-phenylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-phenylpropanoylamino)propanoic acid
PubChem CID12973816
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-methyl-2-(3-phenylpropanoylamino)propanoic acid
SMILESCC(C)(NC(=O)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO3/c1-13(2,12(16)17)14-11(15)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZLIKXSJUWQYAIZ-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenylpropanoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(3-phenylpropanoylamino)propanoic acid (CID 12973816) is 2-methyl-2-(3-phenylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-phenylpropanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-phenylpropanoylamino)propanoic acid is CC(C)(NC(=O)CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-phenylpropanoylamino)propanoic acid?
The InChIKey is ZLIKXSJUWQYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,12(16)17)14-11(15)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(3-phenylpropanoylamino)propanoic acid?
2-methyl-2-(3-phenylpropanoylamino)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenylpropanoylamino)propanoic acid is sourced from PubChem (CID 12973816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).