tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H20N2O4 — CID 141015215

IUPACtert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILES[H]/N=C(\NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-10(2,3)16-8(14)7(12)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,15)
InChIKeySAIFHQAQZGKGRR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds

About tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 141015215) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID141015215
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILES[H]/N=C(\NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-10(2,3)16-8(14)7(12)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,15)
InChIKeySAIFHQAQZGKGRR-UHFFFAOYSA-N
XLogP1.83
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid
CID 173143788
tert-butyl N-(3-aminopropanimidoyl)carbamate
CID 165429833
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
CID 162608257
CID 162608257
tert-butyl N-ethanethioylcarbamate
CID 20745944
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate
CID 89216603
tert-butyl N-(6-bromopyridine-2-carboximidoyl)carbamate
CID 137346533
methyl 2-imino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 145406631
tert-butyl N-(1,2-diamino-2-iminoethyl)carbamate
CID 87503014
tert-butyl N-[(E)-1-amino-3-oxoprop-1-en-2-yl]carbamate
CID 45092432
tert-butyl N-methanidylcarbamate;ethane;yttrium
CID 178136631
tert-butyl N-prop-2-enoylcarbamate
CID 14817908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 141015215) is tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is [H]/N=C(\NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is SAIFHQAQZGKGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)16-8(14)7(12)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,15).
What are the key properties of tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 244.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-imino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 141015215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).