methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate

C15H29N3O4 — CID 134845181

IUPACmethyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-14(2,3)16-11(19)8-18(10-13(21)22-7)9-12(20)17-15(4,5)6/h8-10H2,1-7H3,(H,16,19)(H,17,20)
InChIKeyNFDJACUZUGKCGD-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.29
Rot. Bonds6

About methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate

methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate (PubChem CID 134845181) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
PubChem CID134845181
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Namemethyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-14(2,3)16-11(19)8-18(10-13(21)22-7)9-12(20)17-15(4,5)6/h8-10H2,1-7H3,(H,16,19)(H,17,20)
InChIKeyNFDJACUZUGKCGD-UHFFFAOYSA-N
XLogP0.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate (CID 134845181) is methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate is COC(=O)CN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
The InChIKey is NFDJACUZUGKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-14(2,3)16-11(19)8-18(10-13(21)22-7)9-12(20)17-15(4,5)6/h8-10H2,1-7H3,(H,16,19)(H,17,20).
What are the key properties of methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate?
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate has a molecular weight of 315.41 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 134845181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).