methyl pyrrolidine-3-carboxylate

C6H11NO2 — CID 4114360

IUPACmethyl pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCNC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyVVWWZOKQKXPVIV-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.23
Rot. Bonds1

About methyl pyrrolidine-3-carboxylate

methyl pyrrolidine-3-carboxylate (PubChem CID 4114360) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl pyrrolidine-3-carboxylate
PubChem CID4114360
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCNC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyVVWWZOKQKXPVIV-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl 2-oxo-2-pyrrolidin-3-ylacetate
CID 69176388
methyl (4R)-azepane-4-carboxylate
CID 45090253
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
methyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174559778
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
ethyl pyrrolidine-3-carboperoxoate
CID 130187223
methyl 4-methylpiperidine-3-carboxylate
CID 45043143

Frequently Asked Questions

What is the IUPAC name of methyl pyrrolidine-3-carboxylate?
The IUPAC name of methyl pyrrolidine-3-carboxylate (CID 4114360) is methyl pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl pyrrolidine-3-carboxylate?
The canonical SMILES for methyl pyrrolidine-3-carboxylate is COC(=O)C1CCNC1.
What is the InChIKey of methyl pyrrolidine-3-carboxylate?
The InChIKey is VVWWZOKQKXPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl pyrrolidine-3-carboxylate?
methyl pyrrolidine-3-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 4114360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).