methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate

C7H15N3O3 — CID 77038007

IUPACmethyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate
SMILESCOC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C7H15N3O3/c1-5(2)10(7(11)13-3)4-6(8)9-12/h5,12H,4H2,1-3H3,(H2,8,9)
InChIKeyNLGXSSFUTDQOPH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.21
Rot. Bonds3

About methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate

methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate (PubChem CID 77038007) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate
PubChem CID77038007
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate
SMILESCOC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C7H15N3O3/c1-5(2)10(7(11)13-3)4-6(8)9-12/h5,12H,4H2,1-3H3,(H2,8,9)
InChIKeyNLGXSSFUTDQOPH-UHFFFAOYSA-N
XLogP0.21
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.21
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 methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate?
The IUPAC name of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate (CID 77038007) is methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate?
The canonical SMILES for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate is COC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate?
The InChIKey is NLGXSSFUTDQOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(2)10(7(11)13-3)4-6(8)9-12/h5,12H,4H2,1-3H3,(H2,8,9).
What are the key properties of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate?
methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate has a molecular weight of 189.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 77038007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).