methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate

C13H23NO4 — CID 47039081

IUPACmethyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H23NO4/c1-16-13(15)10-14(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h11-12H,2-10H2,1H3
InChIKeyBIKAVKSBVANGNW-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.82
Rot. Bonds6

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

methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate (PubChem CID 47039081) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
PubChem CID47039081
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H23NO4/c1-16-13(15)10-14(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h11-12H,2-10H2,1H3
InChIKeyBIKAVKSBVANGNW-UHFFFAOYSA-N
XLogP0.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964095
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964261
methyl 3-[1,2,4-oxadiazol-5-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536612

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate (CID 47039081) is methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate is COC(=O)CN(CC1CCCO1)CC1CCCO1.
What is the InChIKey of methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate?
The InChIKey is BIKAVKSBVANGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-13(15)10-14(8-11-4-2-6-17-11)9-12-5-3-7-18-12/h11-12H,2-10H2,1H3.
What are the key properties of methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate?
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate has a molecular weight of 257.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate is sourced from PubChem (CID 47039081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).