tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate

C10H16N4O4 — CID 11043345

IUPACtert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(CC(=O)NO)cn1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-7-4-14(6-11-7)5-8(15)13-17/h4,6,17H,5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyCCNDGFPYPMWCOW-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.74
Rot. Bonds3

About tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate

tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate (PubChem CID 11043345) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate
PubChem CID11043345
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(CC(=O)NO)cn1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-7-4-14(6-11-7)5-8(15)13-17/h4,6,17H,5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyCCNDGFPYPMWCOW-UHFFFAOYSA-N
XLogP0.74
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-triazol-1-yl]acetic acid
CID 129117447
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[2-methyl-1-oxo-1-[[(2R)-1-oxo-1-[[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]carbamate
CID 59976136
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
CID 178071462
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate (CID 11043345) is tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cn(CC(=O)NO)cn1.
What is the InChIKey of tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate?
The InChIKey is CCNDGFPYPMWCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-7-4-14(6-11-7)5-8(15)13-17/h4,6,17H,5H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate?
tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate has a molecular weight of 256.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(hydroxyamino)-2-oxoethyl]imidazol-4-yl]carbamate is sourced from PubChem (CID 11043345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).