N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate

C7H14N3O3- — CID 131731323

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(CC(N)=NO)C(=O)[O-]
InChIInChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12)/p-1
InChIKeyJFNFFFGQZVIYHW-UHFFFAOYSA-M
MW188.21 g/mol
LogP-0.82
Rot. Bonds2

About N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate

N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate (PubChem CID 131731323) has the molecular formula C7H14N3O3- and a molecular weight of 188.21 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
PubChem CID131731323
Molecular FormulaC7H14N3O3-
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(CC(N)=NO)C(=O)[O-]
InChIInChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12)/p-1
InChIKeyJFNFFFGQZVIYHW-UHFFFAOYSA-M
XLogP-0.82
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate (CID 131731323) is N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate is CC(C)(C)N(CC(N)=NO)C(=O)[O-].
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate?
The InChIKey is JFNFFFGQZVIYHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12)/p-1.
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate?
N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate has a molecular weight of 188.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate is sourced from PubChem (CID 131731323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).