[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate

C7H10N2O5 — CID 155110126

IUPAC[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate
SMILESCNC(=O)O[C@@H](CO)COC(=O)C#N
InChIInChI=1S/C7H10N2O5/c1-9-7(12)14-5(3-10)4-13-6(11)2-8/h5,10H,3-4H2,1H3,(H,9,12)/t5-/m0/s1
InChIKeyJUEHJQXQBMYUJT-YFKPBYRVSA-N
MW202.17 g/mol
LogP-1.23
Rot. Bonds4

About [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate

[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate (PubChem CID 155110126) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate
PubChem CID155110126
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate
SMILESCNC(=O)O[C@@H](CO)COC(=O)C#N
InChIInChI=1S/C7H10N2O5/c1-9-7(12)14-5(3-10)4-13-6(11)2-8/h5,10H,3-4H2,1H3,(H,9,12)/t5-/m0/s1
InChIKeyJUEHJQXQBMYUJT-YFKPBYRVSA-N
XLogP-1.23
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate?
The IUPAC name of [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate (CID 155110126) is [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate.
What is the SMILES notation for [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate?
The canonical SMILES for [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate is CNC(=O)O[C@@H](CO)COC(=O)C#N.
What is the InChIKey of [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate?
The InChIKey is JUEHJQXQBMYUJT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-9-7(12)14-5(3-10)4-13-6(11)2-8/h5,10H,3-4H2,1H3,(H,9,12)/t5-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate?
[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate has a molecular weight of 202.17 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate is sourced from PubChem (CID 155110126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).