tert-butyl 2-(ethylcarbamoylamino)oxyacetate

C9H18N2O4 — CID 86658798

IUPACtert-butyl 2-(ethylcarbamoylamino)oxyacetate
SMILESCCNC(=O)NOCC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-10-8(13)11-14-6-7(12)15-9(2,3)4/h5-6H2,1-4H3,(H2,10,11,13)
InChIKeyRVHUFHWGFBTEKU-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.58
Rot. Bonds4

About tert-butyl 2-(ethylcarbamoylamino)oxyacetate

tert-butyl 2-(ethylcarbamoylamino)oxyacetate (PubChem CID 86658798) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl 2-(ethylcarbamoylamino)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(ethylcarbamoylamino)oxyacetate
PubChem CID86658798
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl 2-(ethylcarbamoylamino)oxyacetate
SMILESCCNC(=O)NOCC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-10-8(13)11-14-6-7(12)15-9(2,3)4/h5-6H2,1-4H3,(H2,10,11,13)
InChIKeyRVHUFHWGFBTEKU-UHFFFAOYSA-N
XLogP0.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
tert-butyl 2-[(4-chlorophenyl)methylcarbamoylamino]oxyacetate
CID 86658800
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
CID 53397461
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661
tert-butyl 2-(methyliminomethylamino)oxyacetate
CID 142470538
methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
CID 134514742
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(ethylcarbamoylamino)oxyacetate?
The IUPAC name of tert-butyl 2-(ethylcarbamoylamino)oxyacetate (CID 86658798) is tert-butyl 2-(ethylcarbamoylamino)oxyacetate.
What is the SMILES notation for tert-butyl 2-(ethylcarbamoylamino)oxyacetate?
The canonical SMILES for tert-butyl 2-(ethylcarbamoylamino)oxyacetate is CCNC(=O)NOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(ethylcarbamoylamino)oxyacetate?
The InChIKey is RVHUFHWGFBTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-5-10-8(13)11-14-6-7(12)15-9(2,3)4/h5-6H2,1-4H3,(H2,10,11,13).
What are the key properties of tert-butyl 2-(ethylcarbamoylamino)oxyacetate?
tert-butyl 2-(ethylcarbamoylamino)oxyacetate has a molecular weight of 218.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(ethylcarbamoylamino)oxyacetate is sourced from PubChem (CID 86658798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).