tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate

C10H21N3O3 — CID 75834024

IUPACtert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
SMILESCC(CN(C)C(=O)OC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(8(11)12-15)6-13(5)9(14)16-10(2,3)4/h7,15H,6H2,1-5H3,(H2,11,12)
InChIKeyIQFCEJTWEISRPL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate

tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate (PubChem CID 75834024) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
PubChem CID75834024
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
SMILESCC(CN(C)C(=O)OC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(8(11)12-15)6-13(5)9(14)16-10(2,3)4/h7,15H,6H2,1-5H3,(H2,11,12)
InChIKeyIQFCEJTWEISRPL-UHFFFAOYSA-N
XLogP1.24
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
CID 62667302
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211537
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate (CID 75834024) is tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate is CC(CN(C)C(=O)OC(C)(C)C)C(N)=NO.
What is the InChIKey of tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate?
The InChIKey is IQFCEJTWEISRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(8(11)12-15)6-13(5)9(14)16-10(2,3)4/h7,15H,6H2,1-5H3,(H2,11,12).
What are the key properties of tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate?
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate has a molecular weight of 231.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate is sourced from PubChem (CID 75834024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).