tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate

C8H16N2O3 — CID 54160131

IUPACtert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate
SMILES[H]/N=C(\C)N(O)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-6(9)10(12)5-7(11)13-8(2,3)4/h9,12H,5H2,1-4H3/b9-6+
InChIKeyONVCNVXTBWYEAH-RMKNXTFCSA-N
MW188.23 g/mol
LogP1.02
Rot. Bonds2

About tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate

tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate (PubChem CID 54160131) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate
PubChem CID54160131
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate
SMILES[H]/N=C(\C)N(O)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-6(9)10(12)5-7(11)13-8(2,3)4/h9,12H,5H2,1-4H3/b9-6+
InChIKeyONVCNVXTBWYEAH-RMKNXTFCSA-N
XLogP1.02
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.02
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
tert-butyl N-ethanimidoyl-N-ethenylcarbamate
CID 147553396
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
tert-butyl (E)-5-oxohex-3-enoate
CID 102126041
tert-butyl 2-[(2-aminoacetyl)-[(2-aminoacetyl)-(2-oxopropyl)amino]amino]acetate
CID 170067819
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate;hydrochloride
CID 126812317
tert-butyl N-(C-ethylsulfanylcarbonimidoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 148546672
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate?
The IUPAC name of tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate (CID 54160131) is tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate.
What is the SMILES notation for tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate?
The canonical SMILES for tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate is [H]/N=C(\C)N(O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate?
The InChIKey is ONVCNVXTBWYEAH-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(9)10(12)5-7(11)13-8(2,3)4/h9,12H,5H2,1-4H3/b9-6+.
What are the key properties of tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate?
tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate has a molecular weight of 188.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethanimidoyl(hydroxy)amino]acetate is sourced from PubChem (CID 54160131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).