methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride

C8H14ClNO4 — CID 139800496

IUPACmethyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride
SMILESCOC(=O)CC1CCN(CO)C1=O.Cl
InChIInChI=1S/C8H13NO4.ClH/c1-13-7(11)4-6-2-3-9(5-10)8(6)12;/h6,10H,2-5H2,1H3;1H
InChIKeyFSAMLOHOHQPAOM-UHFFFAOYSA-N
MW223.66 g/mol
LogP-0.23
Rot. Bonds3

About methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride

methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride (PubChem CID 139800496) has the molecular formula C8H14ClNO4 and a molecular weight of 223.66 g/mol. Its IUPAC name is methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride
PubChem CID139800496
Molecular FormulaC8H14ClNO4
Molecular Weight223.66 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride
SMILESCOC(=O)CC1CCN(CO)C1=O.Cl
InChIInChI=1S/C8H13NO4.ClH/c1-13-7(11)4-6-2-3-9(5-10)8(6)12;/h6,10H,2-5H2,1H3;1H
InChIKeyFSAMLOHOHQPAOM-UHFFFAOYSA-N
XLogP-0.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride (CID 139800496) is methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride is COC(=O)CC1CCN(CO)C1=O.Cl.
What is the InChIKey of methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride?
The InChIKey is FSAMLOHOHQPAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.ClH/c1-13-7(11)4-6-2-3-9(5-10)8(6)12;/h6,10H,2-5H2,1H3;1H.
What are the key properties of methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride?
methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride is sourced from PubChem (CID 139800496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).