ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate

C15H19NO4 — CID 168662122

IUPACethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)8-12-5-3-4-6-13(12)16-9-11(10-17)7-14(16)18/h3-6,11,17H,2,7-10H2,1H3
InChIKeyCXWLKUCLHZGDLT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate

ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate (PubChem CID 168662122) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
PubChem CID168662122
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)8-12-5-3-4-6-13(12)16-9-11(10-17)7-14(16)18/h3-6,11,17H,2,7-10H2,1H3
InChIKeyCXWLKUCLHZGDLT-UHFFFAOYSA-N
XLogP1.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
CID 168662518
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662123
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
CID 168663727
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168505915
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
1-(3-acetyl-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662057
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methylphenyl]-2-methylpropanamide
CID 168661984
[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663752

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate (CID 168662122) is ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate is CCOC(=O)Cc1ccccc1N1CC(CO)CC1=O.
What is the InChIKey of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate?
The InChIKey is CXWLKUCLHZGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-15(19)8-12-5-3-4-6-13(12)16-9-11(10-17)7-14(16)18/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate?
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate is sourced from PubChem (CID 168662122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).