tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate

C10H21N3O3 — CID 54592517

IUPACtert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C10H21N3O3/c1-6(2)7(8(11)13-15)12-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H2,11,13)(H,12,14)
InChIKeyFOCOPBKUZMDGDR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate

tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate (PubChem CID 54592517) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate
PubChem CID54592517
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C10H21N3O3/c1-6(2)7(8(11)13-15)12-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H2,11,13)(H,12,14)
InChIKeyFOCOPBKUZMDGDR-UHFFFAOYSA-N
XLogP1.28
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
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-[2-(N'-hydroxycarbamimidoyl)ethyl]carbamate
CID 56760824
tert-butyl N-[3-(N-hydroxycarbamimidoyl)cyclobutyl]carbamate
CID 137965621
tert-butyl N-(1-(N'-hydroxycarbamimidoyl)propan-2-yl)carbamate
CID 54592564
tert-butyl N-(2-(N'-hydroxycarbamimidoyl)-2-methylethyl)carbamate
CID 62667302
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)propan-2-yl]-N-methylcarbamate
CID 63223943
Tert-butyl n-(1-carbamimidoyl-2,2-dimethylpropyl)carbamate
CID 61429987
t-Butyl (1-amino-1-iminobutan-2-yl)-carbamate
CID 61428163
t-Butyl [1-amino-1-(hydroxyimino)-3,3-dimethylbutan-2-yl]carbamate
CID 131150544
t-Butyl {1-[(acetoxy)imino]-1-aminobutan-2-yl}-carbamate
CID 154824352
t-Butyl {1-[(acetoxy)imino]-1-amino-3,3-dimethylbutan-2-yl}carbamate
CID 154824368
tert-Butyl N-(1-carbamimidoylethyl)carbamate
CID 61428355
acetic acid, tert-butyl N-(1-carbamimidoylpropyl)carbamate
CID 170914627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate (CID 54592517) is tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)/C(N)=N/O.
What is the InChIKey of tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The InChIKey is FOCOPBKUZMDGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-6(2)7(8(11)13-15)12-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H2,11,13)(H,12,14).
What are the key properties of tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate has a molecular weight of 231.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 54592517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).