2-[acetyl(methyl)amino]-2-phenylbutanoic acid

C13H17NO3 — CID 63701928

IUPAC2-[acetyl(methyl)amino]-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N(C)C(C)=O
InChIInChI=1S/C13H17NO3/c1-4-13(12(16)17,14(3)10(2)15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyAUMLHIXNFHADGE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.85
Rot. Bonds4

About 2-[acetyl(methyl)amino]-2-phenylbutanoic acid

2-[acetyl(methyl)amino]-2-phenylbutanoic acid (PubChem CID 63701928) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-phenylbutanoic acid
PubChem CID63701928
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[acetyl(methyl)amino]-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N(C)C(C)=O
InChIInChI=1S/C13H17NO3/c1-4-13(12(16)17,14(3)10(2)15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyAUMLHIXNFHADGE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(methyl)amino]-2-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
CID 55233997
2-[acetyl(methyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 114872016
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-[ethyl(methyl)amino]-2-phenylpentanoic acid
CID 114992182
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-[acetyl(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
2-(dimethylamino)-2-quinolin-3-ylbutanoic acid
CID 118221775

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-phenylbutanoic acid (CID 63701928) is 2-[acetyl(methyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-phenylbutanoic acid is CCC(C(=O)O)(c1ccccc1)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-phenylbutanoic acid?
The InChIKey is AUMLHIXNFHADGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-13(12(16)17,14(3)10(2)15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-phenylbutanoic acid?
2-[acetyl(methyl)amino]-2-phenylbutanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 63701928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).