methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate

C11H17NO3 — CID 59739777

IUPACmethyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate
SMILESC=CCC1CC[C@@H](C)N1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO3/c1-4-5-9-7-6-8(2)12(9)10(13)11(14)15-3/h4,8-9H,1,5-7H2,2-3H3/t8-,9?/m1/s1
InChIKeyBUMSPJXRHXCJKT-VEDVMXKPSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate

methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate (PubChem CID 59739777) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate
PubChem CID59739777
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate
SMILESC=CCC1CC[C@@H](C)N1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO3/c1-4-5-9-7-6-8(2)12(9)10(13)11(14)15-3/h4,8-9H,1,5-7H2,2-3H3/t8-,9?/m1/s1
InChIKeyBUMSPJXRHXCJKT-VEDVMXKPSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate (CID 59739777) is methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate is C=CCC1CC[C@@H](C)N1C(=O)C(=O)OC.
What is the InChIKey of methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate?
The InChIKey is BUMSPJXRHXCJKT-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-9-7-6-8(2)12(9)10(13)11(14)15-3/h4,8-9H,1,5-7H2,2-3H3/t8-,9?/m1/s1.
What are the key properties of methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate?
methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 59739777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).