3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid

C14H19NO4 — CID 81076781

IUPAC3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
SMILESCOCC(NC(=O)C(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,10-7-5-4-6-8-10)13(18)15-11(9-19-3)12(16)17/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWUZPQWXMCIOIDD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds6

About 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid

3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid (PubChem CID 81076781) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
PubChem CID81076781
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
SMILESCOCC(NC(=O)C(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,10-7-5-4-6-8-10)13(18)15-11(9-19-3)12(16)17/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWUZPQWXMCIOIDD-UHFFFAOYSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085564
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid (CID 81076781) is 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid is COCC(NC(=O)C(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid?
The InChIKey is WUZPQWXMCIOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,10-7-5-4-6-8-10)13(18)15-11(9-19-3)12(16)17/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid?
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 81076781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).