methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate

C11H19NO3 — CID 59009534

IUPACmethyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyQGLTWEBUARCRDX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds1

About methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate

methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate (PubChem CID 59009534) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate
PubChem CID59009534
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyQGLTWEBUARCRDX-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate (CID 59009534) is methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate?
The InChIKey is QGLTWEBUARCRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate?
methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 59009534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).