2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid

C13H17NO3 — CID 62626750

IUPAC2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-5-4-6-11(7-9)8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyJNBLRLXASYSSSB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.47
Rot. Bonds4

About 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid

2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 62626750) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
PubChem CID62626750
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)N(C)C(C)C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-9-5-4-6-11(7-9)8-12(15)14(3)10(2)13(16)17/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyJNBLRLXASYSSSB-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

N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
CID 63225559
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 132701697
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid (CID 62626750) is 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid is Cc1cccc(CC(=O)N(C)C(C)C(=O)O)c1.
What is the InChIKey of 2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is JNBLRLXASYSSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-5-4-6-11(7-9)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-(3-methylphenyl)acetyl]amino]propanoic acid?
2-[methyl-[2-(3-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-(3-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62626750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).