(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate

C16H27NO8 — CID 132839018

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
SMILESCC1(C)OCC(COC(=O)CNCC(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C16H27NO8/c1-15(2)22-9-11(24-15)7-20-13(18)5-17-6-14(19)21-8-12-10-23-16(3,4)25-12/h11-12,17H,5-10H2,1-4H3
InChIKeyNXESRAZGJPXZDG-UHFFFAOYSA-N
MW361.39 g/mol
LogP-0.03
Rot. Bonds8

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate (PubChem CID 132839018) has the molecular formula C16H27NO8 and a molecular weight of 361.39 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
PubChem CID132839018
Molecular FormulaC16H27NO8
Molecular Weight361.39 g/mol
Exact Mass361.17
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
SMILESCC1(C)OCC(COC(=O)CNCC(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C16H27NO8/c1-15(2)22-9-11(24-15)7-20-13(18)5-17-6-14(19)21-8-12-10-23-16(3,4)25-12/h11-12,17H,5-10H2,1-4H3
InChIKeyNXESRAZGJPXZDG-UHFFFAOYSA-N
XLogP-0.03
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate (CID 132839018) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate is CC1(C)OCC(COC(=O)CNCC(=O)OCC2COC(C)(C)O2)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate?
The InChIKey is NXESRAZGJPXZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO8/c1-15(2)22-9-11(24-15)7-20-13(18)5-17-6-14(19)21-8-12-10-23-16(3,4)25-12/h11-12,17H,5-10H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate has a molecular weight of 361.39 g/mol, XLogP of -0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 132839018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).