methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate

C11H21N3O4 — CID 8768039

IUPACmethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-11(2,3)13-9(16)7-14(4)6-8(15)12-10(17)18-5/h6-7H2,1-5H3,(H,13,16)(H,12,15,17)
InChIKeyDARQITSZJRRPRJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.28
Rot. Bonds4

About methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate

methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate (PubChem CID 8768039) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
PubChem CID8768039
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Namemethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-11(2,3)13-9(16)7-14(4)6-8(15)12-10(17)18-5/h6-7H2,1-5H3,(H,13,16)(H,12,15,17)
InChIKeyDARQITSZJRRPRJ-UHFFFAOYSA-N
XLogP-0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
N-tert-butyl-N'-ethyl-N'-formyloxamide
CID 57224343
Tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid
CID 87410823
methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123190583
methyl N-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]ethyl]-N-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123430059
ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 146227384
[2-(Tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8767198
ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 8767199
[2-(Tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8768038
[2-[2-Cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792379
ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792380
2-[[2-(Tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 9167202

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate (CID 8768039) is methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The InChIKey is DARQITSZJRRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)13-9(16)7-14(4)6-8(15)12-10(17)18-5/h6-7H2,1-5H3,(H,13,16)(H,12,15,17).
What are the key properties of methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate has a molecular weight of 259.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate is sourced from PubChem (CID 8768039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).