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

C11H19NO3 — CID 14754203

IUPACmethyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyIXKVOAVZVBVJHK-QMMMGPOBSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds1

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

methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 14754203) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID14754203
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-11(2,3)10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyIXKVOAVZVBVJHK-QMMMGPOBSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate (CID 14754203) is methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is IXKVOAVZVBVJHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 14754203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).