pyrrolidin-2-ylmethyl 2-methylpropanoate

C9H17NO2 — CID 20612613

IUPACpyrrolidin-2-ylmethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1CCCN1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-6-8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGRCKHHGZPMIOOU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About pyrrolidin-2-ylmethyl 2-methylpropanoate

pyrrolidin-2-ylmethyl 2-methylpropanoate (PubChem CID 20612613) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is pyrrolidin-2-ylmethyl 2-methylpropanoate.

Molecular Properties

Compound Namepyrrolidin-2-ylmethyl 2-methylpropanoate
PubChem CID20612613
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepyrrolidin-2-ylmethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1CCCN1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-6-8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGRCKHHGZPMIOOU-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939416
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
cyclopentylmethyl 2-methylpropanoate
CID 21063892
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethyl 2-methylpropanoate?
The IUPAC name of pyrrolidin-2-ylmethyl 2-methylpropanoate (CID 20612613) is pyrrolidin-2-ylmethyl 2-methylpropanoate.
What is the SMILES notation for pyrrolidin-2-ylmethyl 2-methylpropanoate?
The canonical SMILES for pyrrolidin-2-ylmethyl 2-methylpropanoate is CC(C)C(=O)OCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethyl 2-methylpropanoate?
The InChIKey is GRCKHHGZPMIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)12-6-8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of pyrrolidin-2-ylmethyl 2-methylpropanoate?
pyrrolidin-2-ylmethyl 2-methylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethyl 2-methylpropanoate is sourced from PubChem (CID 20612613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).