methyl 2-pyrrolidin-2-ylacetate

C7H13NO2 — CID 5323862

IUPACmethyl 2-pyrrolidin-2-ylacetate
SMILESCOC(=O)CC1CCCN1
InChIInChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3
InChIKeyQVQOWGPBRKRAOW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About methyl 2-pyrrolidin-2-ylacetate

methyl 2-pyrrolidin-2-ylacetate (PubChem CID 5323862) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-pyrrolidin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-2-ylacetate
PubChem CID5323862
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-pyrrolidin-2-ylacetate
SMILESCOC(=O)CC1CCCN1
InChIInChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3
InChIKeyQVQOWGPBRKRAOW-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Homoproline, (+)-
CID 2761541
CID 7014920
CID 7014920
(2R)-2-Pyrrolidineacetic acid
CID 5706675
Homoproline, (A+-)-
CID 123784
Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
Methyl 1-methylpyrrolidine-2-acetate
CID 103551
Methyl 2-methyl-2-(pyrrolidin-2-yl)propanoate
CID 5323864
2-(Pyrrolidin-2-yl)acetic acid hydrochloride
CID 12514707
methyl 2-[(2S)-1-methylpyrrolidin-2-yl]acetate
CID 92286142
tert-Butyl (pyrrolidin-2-yl)acetate
CID 21671901
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride
CID 2761540
methyl 2-[(2S)-pyrrolidin-2-yl]acetate hydrochloride
CID 11593534

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-2-ylacetate?
The IUPAC name of methyl 2-pyrrolidin-2-ylacetate (CID 5323862) is methyl 2-pyrrolidin-2-ylacetate.
What is the SMILES notation for methyl 2-pyrrolidin-2-ylacetate?
The canonical SMILES for methyl 2-pyrrolidin-2-ylacetate is COC(=O)CC1CCCN1.
What is the InChIKey of methyl 2-pyrrolidin-2-ylacetate?
The InChIKey is QVQOWGPBRKRAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3.
What are the key properties of methyl 2-pyrrolidin-2-ylacetate?
methyl 2-pyrrolidin-2-ylacetate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-2-ylacetate is sourced from PubChem (CID 5323862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).