2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate

C11H19NO3 — CID 174702557

IUPAC2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)15-9(13)8-6-5-7-12(8)4/h8H,5-7H2,1-4H3
InChIKeyWJVXBBGYAVFILW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds1

About 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate

2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 174702557) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate
PubChem CID174702557
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)15-9(13)8-6-5-7-12(8)4/h8H,5-7H2,1-4H3
InChIKeyWJVXBBGYAVFILW-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl] 1-methylpyrrolidine-2-carboxylate
CID 175021040
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754
4,4-dimethyl-1-(1-methylpyrrolidin-2-yl)pent-2-en-1-one
CID 142070815

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate (CID 174702557) is 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate is CN1CCCC1C(=O)OC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is WJVXBBGYAVFILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)10(14)15-9(13)8-6-5-7-12(8)4/h8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate?
2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 174702557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).