ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate

C10H17NO4 — CID 141183639

IUPACethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCN(C)C1=O
InChIInChI=1S/C10H17NO4/c1-4-15-9(13)10(2,14)7-5-6-11(3)8(7)12/h7,14H,4-6H2,1-3H3
InChIKeyYWHNMZGONJCFOU-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.22
Rot. Bonds3

About ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate

ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate (PubChem CID 141183639) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate
PubChem CID141183639
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCN(C)C1=O
InChIInChI=1S/C10H17NO4/c1-4-15-9(13)10(2,14)7-5-6-11(3)8(7)12/h7,14H,4-6H2,1-3H3
InChIKeyYWHNMZGONJCFOU-UHFFFAOYSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate (CID 141183639) is ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate is CCOC(=O)C(C)(O)C1CCN(C)C1=O.
What is the InChIKey of ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate?
The InChIKey is YWHNMZGONJCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-15-9(13)10(2,14)7-5-6-11(3)8(7)12/h7,14H,4-6H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate?
ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate has a molecular weight of 215.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 141183639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).