methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate

C7H11NO4 — CID 139781503

IUPACmethyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
SMILESCOC(=O)C(O)N1CCCC1=O
InChIInChI=1S/C7H11NO4/c1-12-7(11)6(10)8-4-2-3-5(8)9/h6,10H,2-4H2,1H3
InChIKeyCKSQTFCRADHEQZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.90
Rot. Bonds2

About methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate

methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 139781503) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID139781503
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
SMILESCOC(=O)C(O)N1CCCC1=O
InChIInChI=1S/C7H11NO4/c1-12-7(11)6(10)8-4-2-3-5(8)9/h6,10H,2-4H2,1H3
InChIKeyCKSQTFCRADHEQZ-UHFFFAOYSA-N
XLogP-0.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 67572682
methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
CID 139781494
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate
CID 121247806
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
CID 58936787
CID 58936787
methyl 2-bromo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 81091745
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate (CID 139781503) is methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate is COC(=O)C(O)N1CCCC1=O.
What is the InChIKey of methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is CKSQTFCRADHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(11)6(10)8-4-2-3-5(8)9/h6,10H,2-4H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate?
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 173.17 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 139781503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).