3-[ethyl(oxane-2-carbonyl)amino]propanoic acid

C11H19NO4 — CID 62213143

IUPAC3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-2-12(7-6-10(13)14)11(15)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyXEDWJWAKRLBUNP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid

3-[ethyl(oxane-2-carbonyl)amino]propanoic acid (PubChem CID 62213143) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
PubChem CID62213143
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-2-12(7-6-10(13)14)11(15)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyXEDWJWAKRLBUNP-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid (CID 62213143) is 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CCCCO1.
What is the InChIKey of 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid?
The InChIKey is XEDWJWAKRLBUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-12(7-6-10(13)14)11(15)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid?
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxane-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62213143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).