tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate

C11H22N2O3 — CID 10944268

IUPACtert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-8(2)9(7-12-15)13-10(14)16-11(3,4)5/h7-9,15H,6H2,1-5H3,(H,13,14)/b12-7+/t8-,9+/m0/s1
InChIKeyZEKDHASWRPDXEX-HUFWGZQDSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate

tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate (PubChem CID 10944268) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate
PubChem CID10944268
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-8(2)9(7-12-15)13-10(14)16-11(3,4)5/h7-9,15H,6H2,1-5H3,(H,13,14)/b12-7+/t8-,9+/m0/s1
InChIKeyZEKDHASWRPDXEX-HUFWGZQDSA-N
XLogP2.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(1Z,2S)-1-hydroxyiminopropan-2-yl]carbamate
CID 45091861
tert-butyl N-[(3S)-1,1-dibromo-4-methylhex-1-en-3-yl]carbamate
CID 15839261
(3-ethyl-2-methylpentan-2-yl) N-[(2R)-1-hydroxyiminopropan-2-yl]carbamate
CID 86729793
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
CID 175054407
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-[(2S)-1-(but-3-enylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 121448498
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
CID 15936517
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate (CID 10944268) is tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate is CC[C@H](C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate?
The InChIKey is ZEKDHASWRPDXEX-HUFWGZQDSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-8(2)9(7-12-15)13-10(14)16-11(3,4)5/h7-9,15H,6H2,1-5H3,(H,13,14)/b12-7+/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate?
tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E,2S,3S)-1-hydroxyimino-3-methylpentan-2-yl]carbamate is sourced from PubChem (CID 10944268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).