methyl 2-pyrrolidin-2-ylacetate;hydrochloride

C7H14ClNO2 — CID 66745408

IUPACmethyl 2-pyrrolidin-2-ylacetate;hydrochloride
SMILESCOC(=O)CC1CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)5-6-3-2-4-8-6;/h6,8H,2-5H2,1H3;1H
InChIKeyFECAUVOXGVMVNH-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-pyrrolidin-2-ylacetate;hydrochloride

methyl 2-pyrrolidin-2-ylacetate;hydrochloride (PubChem CID 66745408) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 2-pyrrolidin-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-2-ylacetate;hydrochloride
PubChem CID66745408
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 2-pyrrolidin-2-ylacetate;hydrochloride
SMILESCOC(=O)CC1CCCN1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)5-6-3-2-4-8-6;/h6,8H,2-5H2,1H3;1H
InChIKeyFECAUVOXGVMVNH-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
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 2-(pyrrolidin-2-yl)acetate
CID 5323862
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-pyrrolidin-2-ylacetate;hydrochloride (CID 66745408) is methyl 2-pyrrolidin-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-pyrrolidin-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-pyrrolidin-2-ylacetate;hydrochloride is COC(=O)CC1CCCN1.Cl.
What is the InChIKey of methyl 2-pyrrolidin-2-ylacetate;hydrochloride?
The InChIKey is FECAUVOXGVMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)5-6-3-2-4-8-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of methyl 2-pyrrolidin-2-ylacetate;hydrochloride?
methyl 2-pyrrolidin-2-ylacetate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.72, 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;hydrochloride is sourced from PubChem (CID 66745408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).