1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid

C11H18N2O4 — CID 16764453

IUPAC1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C11H18N2O4/c14-10-7-9(11(15)16)8-13(10)2-1-12-3-5-17-6-4-12/h9H,1-8H2,(H,15,16)
InChIKeyMICQDDOGLMOEIY-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.75
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 16764453) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID16764453
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C11H18N2O4/c14-10-7-9(11(15)16)8-13(10)2-1-12-3-5-17-6-4-12/h9H,1-8H2,(H,15,16)
InChIKeyMICQDDOGLMOEIY-UHFFFAOYSA-N
XLogP-0.75
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146690
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691
(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203758
5-Oxo-1-[2-(1-piperidinyl)ethyl]-3-pyrrolidinecarboxylic acid
CID 42652521
5-Oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 50979122
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic-13C acid
CID 172418871
1-(2-Morpholin-4-yl-2-oxoethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709094
(3S,4S)-1-(4-morpholin-4-yl-4-oxobutanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951372
2-[4-[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]morpholin-3-yl]acetic acid
CID 121619930
5-Oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50972184
1-(3-Ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3159024
2,3-Dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 16764453) is 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MICQDDOGLMOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10-7-9(11(15)16)8-13(10)2-1-12-3-5-17-6-4-12/h9H,1-8H2,(H,15,16).
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 16764453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).