methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate

C11H21NO3 — CID 55149055

IUPACmethyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC1CCCO1)C(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)12(8-11(13)14-3)7-10-5-4-6-15-10/h9-10H,4-8H2,1-3H3
InChIKeyRJBRFJNBWVLTIK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate

methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate (PubChem CID 55149055) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate
PubChem CID55149055
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC1CCCO1)C(C)C
InChIInChI=1S/C11H21NO3/c1-9(2)12(8-11(13)14-3)7-10-5-4-6-15-10/h9-10H,4-8H2,1-3H3
InChIKeyRJBRFJNBWVLTIK-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate (CID 55149055) is methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate is COC(=O)CN(CC1CCCO1)C(C)C.
What is the InChIKey of methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate?
The InChIKey is RJBRFJNBWVLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12(8-11(13)14-3)7-10-5-4-6-15-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate?
methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[oxolan-2-ylmethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 55149055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).