3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid

C11H20N2O4 — CID 61203125

IUPAC3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-13(6-3-10(14)15)11(16)12-9-4-7-17-8-5-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyQYPCOPUOMLUIQL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds5

About 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid

3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid (PubChem CID 61203125) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid
PubChem CID61203125
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-13(6-3-10(14)15)11(16)12-9-4-7-17-8-5-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyQYPCOPUOMLUIQL-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid (CID 61203125) is 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)NC1CCOCC1.
What is the InChIKey of 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid?
The InChIKey is QYPCOPUOMLUIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-13(6-3-10(14)15)11(16)12-9-4-7-17-8-5-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid?
3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-4-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61203125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).