tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate

C10H19NO3 — CID 11063470

IUPACtert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate
SMILESC[C@@H](/C=C/CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m0/s1
InChIKeyQGMXGFGULMXABN-GJIOHYHPSA-N
MW201.27 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate

tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate (PubChem CID 11063470) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate
PubChem CID11063470
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate
SMILESC[C@@H](/C=C/CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m0/s1
InChIKeyQGMXGFGULMXABN-GJIOHYHPSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate (CID 11063470) is tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate is C[C@@H](/C=C/CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate?
The InChIKey is QGMXGFGULMXABN-GJIOHYHPSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-5-7-12)11-9(13)14-10(2,3)4/h5-6,8,12H,7H2,1-4H3,(H,11,13)/b6-5+/t8-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-5-hydroxypent-3-en-2-yl]carbamate is sourced from PubChem (CID 11063470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).