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

C12H24N3O4+ — CID 8767198

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18)/p+1
InChIKeyPJKWEIMGGPQWCE-UHFFFAOYSA-O
MW274.34 g/mol
LogP-1.31
Rot. Bonds5

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

[2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium (PubChem CID 8767198) has the molecular formula C12H24N3O4+ and a molecular weight of 274.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
PubChem CID8767198
Molecular FormulaC12H24N3O4+
Molecular Weight274.34 g/mol
Exact Mass274.18
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCCOC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18)/p+1
InChIKeyPJKWEIMGGPQWCE-UHFFFAOYSA-O
XLogP-1.31
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl N-(2-acetamido-2-oxoethyl)carbamate
CID 134858069
ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 58803032
tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate
CID 58916220
propyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 59817403
tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate
CID 87410011
ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 87491226
Tert-butyl (2-((methoxymethyl)amino)-2-oxoethyl)(methyl)carbamate
CID 88105709
(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 89073238
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-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 138630473
propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 138630558

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium (CID 8767198) is [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium is CCOC(=O)NC(=O)C[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium?
The InChIKey is PJKWEIMGGPQWCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium has a molecular weight of 274.34 g/mol, XLogP of -1.31, 5 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-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8767198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).