2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid

C11H19NO4 — CID 62032283

IUPAC2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)7-12(2)10(13)6-9-4-3-5-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGIIXYBKJVHQDBV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds5

About 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid (PubChem CID 62032283) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
PubChem CID62032283
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)7-12(2)10(13)6-9-4-3-5-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGIIXYBKJVHQDBV-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid (CID 62032283) is 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid is CC(CN(C)C(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The InChIKey is GIIXYBKJVHQDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(11(14)15)7-12(2)10(13)6-9-4-3-5-16-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62032283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).