[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium

C11H22N3O4+ — CID 8768038

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)NC(=O)C[NH+](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)/p+1
InChIKeyDARQITSZJRRPRJ-UHFFFAOYSA-O
MW260.31 g/mol
LogP-1.70
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium (PubChem CID 8768038) has the molecular formula C11H22N3O4+ and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
PubChem CID8768038
Molecular FormulaC11H22N3O4+
Molecular Weight260.31 g/mol
Exact Mass260.16
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)NC(=O)C[NH+](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)/p+1
InChIKeyDARQITSZJRRPRJ-UHFFFAOYSA-O
XLogP-1.70
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

Methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
methyl N-[2-[2-aminoethyl(methyl)amino]acetyl]carbamate
CID 62687002
Tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid
CID 87410823
methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 121420093
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
methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate
CID 137466832
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate
CID 143543643
ethane;methyl N-[2-(ethylamino)-2-oxoethyl]carbamate;propane
CID 145610019
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

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium (CID 8768038) is [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium is COC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The InChIKey is DARQITSZJRRPRJ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium has a molecular weight of 260.31 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).