tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate

C10H19N3O4 — CID 58916220

IUPACtert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate
SMILES[3H]NC(=O)CN(C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)12-5-8(15)13(4)6-7(11)14/h5-6H2,1-4H3,(H2,11,14)(H,12,16)/i/hT
InChIKeyCXNBVABASQCRGG-MNYXATJNSA-N
MW247.29 g/mol
LogP-0.55
Rot. Bonds4

About tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate (PubChem CID 58916220) has the molecular formula C10H19N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate
PubChem CID58916220
Molecular FormulaC10H19N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Nametert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate
SMILES[3H]NC(=O)CN(C)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)12-5-8(15)13(4)6-7(11)14/h5-6H2,1-4H3,(H2,11,14)(H,12,16)/i/hT
InChIKeyCXNBVABASQCRGG-MNYXATJNSA-N
XLogP-0.55
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate (CID 58916220) is tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate is [3H]NC(=O)CN(C)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is CXNBVABASQCRGG-MNYXATJNSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)12-5-8(15)13(4)6-7(11)14/h5-6H2,1-4H3,(H2,11,14)(H,12,16)/i/hT.
What are the key properties of tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 247.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methyl-[2-oxo-2-(tritioamino)ethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 58916220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).