tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate

C10H20N2O4 — CID 74082031

IUPACtert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)NO
InChIInChI=1S/C10H20N2O4/c1-6(2)7(8(13)12-15)11-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H,11,14)(H,12,13)
InChIKeyXCLCZIYJWOZYGE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 74082031) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID74082031
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)NO
InChIInChI=1S/C10H20N2O4/c1-6(2)7(8(13)12-15)11-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H,11,14)(H,12,13)
InChIKeyXCLCZIYJWOZYGE-UHFFFAOYSA-N
XLogP1.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 14657712
(2S)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 126628742
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
CID 143423917
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7410696
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl N-[3-methyl-1-(2-methylbutylamino)-1-oxobutan-2-yl]carbamate
CID 14850274
tert-butyl N-[1-(hexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62201361
ethane;methane;2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetic acid
CID 172608163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 74082031) is tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)NO.
What is the InChIKey of tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is XCLCZIYJWOZYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)7(8(13)12-15)11-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 74082031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).