methyl 2-methyl-2-pyrrolidin-2-ylpropanoate

C9H17NO2 — CID 5323864

IUPACmethyl 2-methyl-2-pyrrolidin-2-ylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN1
InChIInChI=1S/C9H17NO2/c1-9(2,8(11)12-3)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3
InChIKeyAMRCSFBRIBGWOS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-methyl-2-pyrrolidin-2-ylpropanoate

methyl 2-methyl-2-pyrrolidin-2-ylpropanoate (PubChem CID 5323864) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-methyl-2-pyrrolidin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-pyrrolidin-2-ylpropanoate
PubChem CID5323864
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-methyl-2-pyrrolidin-2-ylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN1
InChIInChI=1S/C9H17NO2/c1-9(2,8(11)12-3)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3
InChIKeyAMRCSFBRIBGWOS-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(pyrrolidin-2-yl)acetate
CID 5323862
tert-Butyl (pyrrolidin-2-yl)acetate
CID 21671901
methyl 2-[(2S)-pyrrolidin-2-yl]acetate hydrochloride
CID 11593534
Methyl 2-(pyrrolidin-2-yl)propanoate
CID 13778723
Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 50988249
Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 66745408
methyl 2-((2R)-pyrrolidin-2-yl)acetate hydrochloride
CID 68738055
Methyl 2-(5-oxopyrrolidin-2-yl)propanoate
CID 70510384
2-methyl-2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 96849169
Ethyl 2-(pyrrolidin-2-yl)acetate
CID 336545
Methyl 6-azaspiro[3.4]octane-8-carboxylate hydrochloride
CID 132371379
Methyl 2-{6-azaspiro[3.4]octan-7-yl}acetate hydrochloride
CID 137951876

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-pyrrolidin-2-ylpropanoate?
The IUPAC name of methyl 2-methyl-2-pyrrolidin-2-ylpropanoate (CID 5323864) is methyl 2-methyl-2-pyrrolidin-2-ylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-pyrrolidin-2-ylpropanoate?
The canonical SMILES for methyl 2-methyl-2-pyrrolidin-2-ylpropanoate is COC(=O)C(C)(C)C1CCCN1.
What is the InChIKey of methyl 2-methyl-2-pyrrolidin-2-ylpropanoate?
The InChIKey is AMRCSFBRIBGWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,8(11)12-3)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-methyl-2-pyrrolidin-2-ylpropanoate?
methyl 2-methyl-2-pyrrolidin-2-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-pyrrolidin-2-ylpropanoate is sourced from PubChem (CID 5323864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).