methyl (2S)-1-methylpyrrolidine-2-carboxylate

C7H13NO2 — CID 10920622

IUPACmethyl (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWBXUFOSSZLFNPQ-LURJTMIESA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About methyl (2S)-1-methylpyrrolidine-2-carboxylate

methyl (2S)-1-methylpyrrolidine-2-carboxylate (PubChem CID 10920622) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2S)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-methylpyrrolidine-2-carboxylate
PubChem CID10920622
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWBXUFOSSZLFNPQ-LURJTMIESA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-methylpyrrolidine-2-carboxylate (CID 10920622) is methyl (2S)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-methylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C.
What is the InChIKey of methyl (2S)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is WBXUFOSSZLFNPQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-1-methylpyrrolidine-2-carboxylate?
methyl (2S)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 10920622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).