3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid

C11H21NO3 — CID 66324387

IUPAC3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(COCC1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(12-2,10(13)14)8-15-7-9-5-3-4-6-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCWLURFMAUXFKTL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds6

About 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid

3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid (PubChem CID 66324387) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
PubChem CID66324387
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(COCC1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(12-2,10(13)14)8-15-7-9-5-3-4-6-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyCWLURFMAUXFKTL-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid (CID 66324387) is 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid is CNC(C)(COCC1CCCC1)C(=O)O.
What is the InChIKey of 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid?
The InChIKey is CWLURFMAUXFKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(12-2,10(13)14)8-15-7-9-5-3-4-6-9/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid?
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 66324387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).