3-acetamido-2-methyl-2-phenylpropanoic acid

C12H15NO3 — CID 120701382

IUPAC3-acetamido-2-methyl-2-phenylpropanoic acid
SMILESCC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(14)13-8-12(2,11(15)16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGJJLMUHJVZJKMR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.16
Rot. Bonds4

About 3-acetamido-2-methyl-2-phenylpropanoic acid

3-acetamido-2-methyl-2-phenylpropanoic acid (PubChem CID 120701382) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-acetamido-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-acetamido-2-methyl-2-phenylpropanoic acid
PubChem CID120701382
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-acetamido-2-methyl-2-phenylpropanoic acid
SMILESCC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(14)13-8-12(2,11(15)16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGJJLMUHJVZJKMR-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-acetamidohexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700687
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331
3-(3-ethylpentanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701007
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-acetamido-2-methyl-2-phenylpropanoic acid (CID 120701382) is 3-acetamido-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-acetamido-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-acetamido-2-methyl-2-phenylpropanoic acid is CC(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-acetamido-2-methyl-2-phenylpropanoic acid?
The InChIKey is GJJLMUHJVZJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)13-8-12(2,11(15)16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-acetamido-2-methyl-2-phenylpropanoic acid?
3-acetamido-2-methyl-2-phenylpropanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).