3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

C11H22N2O4 — CID 122017804

IUPAC3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCCCN(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-4-7-13(8-9-17-2)11(16)12-6-5-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDYUAMVTYBMCGQH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds9

About 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 122017804) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
PubChem CID122017804
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCCCN(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-4-7-13(8-9-17-2)11(16)12-6-5-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDYUAMVTYBMCGQH-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (CID 122017804) is 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is CCCCN(CCOC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is DYUAMVTYBMCGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-4-7-13(8-9-17-2)11(16)12-6-5-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122017804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).