[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate

C6H11NO3 — CID 118180473

IUPAC[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
SMILESC[C@@]1(O)CN[C@H](OC=O)C1
InChIInChI=1S/C6H11NO3/c1-6(9)2-5(7-3-6)10-4-8/h4-5,7,9H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyXHTFAIJTADLXMW-RITPCOANSA-N
MW145.16 g/mol
LogP-0.77
Rot. Bonds2

About [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate

[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate (PubChem CID 118180473) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
PubChem CID118180473
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate
SMILESC[C@@]1(O)CN[C@H](OC=O)C1
InChIInChI=1S/C6H11NO3/c1-6(9)2-5(7-3-6)10-4-8/h4-5,7,9H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyXHTFAIJTADLXMW-RITPCOANSA-N
XLogP-0.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate?
The IUPAC name of [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate (CID 118180473) is [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate.
What is the SMILES notation for [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate?
The canonical SMILES for [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate is C[C@@]1(O)CN[C@H](OC=O)C1.
What is the InChIKey of [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate?
The InChIKey is XHTFAIJTADLXMW-RITPCOANSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(9)2-5(7-3-6)10-4-8/h4-5,7,9H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate?
[(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate has a molecular weight of 145.16 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-hydroxy-4-methylpyrrolidin-2-yl] formate is sourced from PubChem (CID 118180473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).