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

C13H17NO3 — CID 62627248

IUPAC2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccccc1CC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H17NO3/c1-9-6-4-5-7-11(9)8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMKYREAOXAIISGQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.47
Rot. Bonds4

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

2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 62627248) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
PubChem CID62627248
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccccc1CC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H17NO3/c1-9-6-4-5-7-11(9)8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMKYREAOXAIISGQ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
2-(2-methylphenyl)acetic acid
CID 67440217
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
CID 110834471
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122036926

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid (CID 62627248) is 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid is Cc1ccccc1CC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is MKYREAOXAIISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-4-5-7-11(9)8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid?
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62627248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).