methyl (2R)-pyrrolidine-2-carboxylate

C6H11NO2 — CID 853476

IUPACmethyl (2R)-pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyBLWYXBNNBYXPPL-RXMQYKEDSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About methyl (2R)-pyrrolidine-2-carboxylate

methyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 853476) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-pyrrolidine-2-carboxylate
PubChem CID853476
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl (2R)-pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyBLWYXBNNBYXPPL-RXMQYKEDSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-pyrrolidine-2-carboxylate (CID 853476) is methyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1.
What is the InChIKey of methyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is BLWYXBNNBYXPPL-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of methyl (2R)-pyrrolidine-2-carboxylate?
methyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 853476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).