tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate

C8H17N3O3 — CID 61324783

IUPACtert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)14-8(2,3)4/h5,13H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyBHLMHYISJUOEDJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.65
Rot. Bonds2

About tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate

tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate (PubChem CID 61324783) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate
PubChem CID61324783
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Nametert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)14-8(2,3)4/h5,13H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyBHLMHYISJUOEDJ-UHFFFAOYSA-N
XLogP0.65
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate (CID 61324783) is tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)/C(N)=N/O.
What is the InChIKey of tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate?
The InChIKey is BHLMHYISJUOEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)14-8(2,3)4/h5,13H,1-4H3,(H2,9,11)(H,10,12).
What are the key properties of tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate?
tert-butyl N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.65, 2 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-hydroxyiminopropan-2-yl]carbamate is sourced from PubChem (CID 61324783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).