methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate

C13H23NO3 — CID 62070199

IUPACmethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-16-13(15)12(10-5-2-3-6-10)14-9-11-7-4-8-17-11/h10-12,14H,2-9H2,1H3
InChIKeyZAZONUWMUQECIL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate

methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 62070199) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
PubChem CID62070199
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-16-13(15)12(10-5-2-3-6-10)14-9-11-7-4-8-17-11/h10-12,14H,2-9H2,1H3
InChIKeyZAZONUWMUQECIL-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate (CID 62070199) is methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate is COC(=O)C(NCC1CCCO1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is ZAZONUWMUQECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-13(15)12(10-5-2-3-6-10)14-9-11-7-4-8-17-11/h10-12,14H,2-9H2,1H3.
What are the key properties of methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate?
methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 62070199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).