2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid

C11H19NO4 — CID 119200322

IUPAC2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)COCC1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,10(14)15)12(3)9(13)7-16-6-8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyOCOSUDXSUWNVGH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds6

About 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200322) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200322
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)COCC1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,10(14)15)12(3)9(13)7-16-6-8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyOCOSUDXSUWNVGH-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid (CID 119200322) is 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)COCC1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is OCOSUDXSUWNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,10(14)15)12(3)9(13)7-16-6-8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).