tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate

C12H24N2O4 — CID 23388437

IUPACtert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCONC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)7-9(10(15)14-17-6)13-11(16)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKeyONOZIPAHRHORSC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 23388437) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID23388437
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCONC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)7-9(10(15)14-17-6)13-11(16)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKeyONOZIPAHRHORSC-UHFFFAOYSA-N
XLogP1.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.60
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

methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407232
methyl 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 88936057
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
tert-butyl (2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 175818879
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl] 3-methyl-2-propan-2-ylbutanoate
CID 174639257
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 10041457

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate (CID 23388437) is tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate is CONC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is ONOZIPAHRHORSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)7-9(10(15)14-17-6)13-11(16)18-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 23388437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).