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

C15H21NO3 — CID 119237236

IUPAC2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
SMILESCc1ccccc1C(C)(C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-7-5-6-8-12(10)15(3,4)14(19)16-9-11(2)13(17)18/h5-8,11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXGUDADLNAJHTHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds5

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

2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid (PubChem CID 119237236) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
PubChem CID119237236
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
SMILESCc1ccccc1C(C)(C)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-7-5-6-8-12(10)15(3,4)14(19)16-9-11(2)13(17)18/h5-8,11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyXGUDADLNAJHTHY-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119223810
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
CID 119237596
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246063
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
N-(2,2-dimethoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437902
2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid
CID 119220473
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
[2-hydroxy-2-(2-methylphenyl)propyl]carbamic acid
CID 118168944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid (CID 119237236) is 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid is Cc1ccccc1C(C)(C)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid?
The InChIKey is XGUDADLNAJHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-7-5-6-8-12(10)15(3,4)14(19)16-9-11(2)13(17)18/h5-8,11H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid?
2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).