3-[butyl(propanoyl)amino]-2-methylpropanoic acid

C11H21NO3 — CID 82323303

IUPAC3-[butyl(propanoyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)C(=O)CC
InChIInChI=1S/C11H21NO3/c1-4-6-7-12(10(13)5-2)8-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyYBNMEDARJXWHMF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.75
Rot. Bonds7

About 3-[butyl(propanoyl)amino]-2-methylpropanoic acid

3-[butyl(propanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323303) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[butyl(propanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butyl(propanoyl)amino]-2-methylpropanoic acid
PubChem CID82323303
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[butyl(propanoyl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)C(=O)CC
InChIInChI=1S/C11H21NO3/c1-4-6-7-12(10(13)5-2)8-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyYBNMEDARJXWHMF-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
3-[2-ethylbutanoyl(pentyl)amino]-2-methylpropanoic acid
CID 82323896
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 82325749
3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[butyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329356
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(propanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butyl(propanoyl)amino]-2-methylpropanoic acid (CID 82323303) is 3-[butyl(propanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butyl(propanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butyl(propanoyl)amino]-2-methylpropanoic acid is CCCCN(CC(C)C(=O)O)C(=O)CC.
What is the InChIKey of 3-[butyl(propanoyl)amino]-2-methylpropanoic acid?
The InChIKey is YBNMEDARJXWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-7-12(10(13)5-2)8-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[butyl(propanoyl)amino]-2-methylpropanoic acid?
3-[butyl(propanoyl)amino]-2-methylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(propanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).