2-acetamido-3-methyl-2-phenylbutanoic acid

C13H17NO3 — CID 63701624

IUPAC2-acetamido-3-methyl-2-phenylbutanoic acid
SMILESCC(=O)NC(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C13H17NO3/c1-9(2)13(12(16)17,14-10(3)15)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyNYAKFJLZCCCLQD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds4

About 2-acetamido-3-methyl-2-phenylbutanoic acid

2-acetamido-3-methyl-2-phenylbutanoic acid (PubChem CID 63701624) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-acetamido-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-acetamido-3-methyl-2-phenylbutanoic acid
PubChem CID63701624
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-acetamido-3-methyl-2-phenylbutanoic acid
SMILESCC(=O)NC(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C13H17NO3/c1-9(2)13(12(16)17,14-10(3)15)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyNYAKFJLZCCCLQD-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
methyl 2-acetamido-3-(furan-2-yl)-2-phenylbutanoate
CID 10542314
2-anilino-3-methyl-2-phenylbutanamide
CID 60996428
N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
CID 150830185
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
CID 60997141

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-2-phenylbutanoic acid?
The IUPAC name of 2-acetamido-3-methyl-2-phenylbutanoic acid (CID 63701624) is 2-acetamido-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 2-acetamido-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for 2-acetamido-3-methyl-2-phenylbutanoic acid is CC(=O)NC(C(=O)O)(c1ccccc1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-2-phenylbutanoic acid?
The InChIKey is NYAKFJLZCCCLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)13(12(16)17,14-10(3)15)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-methyl-2-phenylbutanoic acid?
2-acetamido-3-methyl-2-phenylbutanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 63701624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).