tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate

C9H19N3O3 — CID 62667302

IUPACtert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C9H19N3O3/c1-6(7(10)12-14)5-11-8(13)15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyNXWDWKLIOMWYEX-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate

tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate (PubChem CID 62667302) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
PubChem CID62667302
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Nametert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)/C(N)=N/O
InChIInChI=1S/C9H19N3O3/c1-6(7(10)12-14)5-11-8(13)15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyNXWDWKLIOMWYEX-UHFFFAOYSA-N
XLogP0.89
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.89
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

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
CID 98041193

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate (CID 62667302) is tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate is CC(CNC(=O)OC(C)(C)C)/C(N)=N/O.
What is the InChIKey of tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate?
The InChIKey is NXWDWKLIOMWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(7(10)12-14)5-11-8(13)15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate?
tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate has a molecular weight of 217.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate is sourced from PubChem (CID 62667302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).