tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate

C7H15N3O3 — CID 21061511

IUPACtert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(N)=N/O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)13-6(11)9-4-5(8)10-12/h12H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyHPWSTQITVJEUMH-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.26
Rot. Bonds2

About tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate

tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate (PubChem CID 21061511) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate
PubChem CID21061511
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Nametert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(N)=N/O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)13-6(11)9-4-5(8)10-12/h12H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyHPWSTQITVJEUMH-UHFFFAOYSA-N
XLogP0.26
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
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 tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate?
The IUPAC name of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate (CID 21061511) is tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate is CC(C)(C)OC(=O)NC/C(N)=N/O.
What is the InChIKey of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate?
The InChIKey is HPWSTQITVJEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-7(2,3)13-6(11)9-4-5(8)10-12/h12H,4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate?
tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate has a molecular weight of 189.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2Z)-2-amino-2-hydroxyiminoethyl]carbamate is sourced from PubChem (CID 21061511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).