methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate

C12H20N2O4 — CID 112730542

IUPACmethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c1-17-12(16)10-2-3-13(8-10)9-11(15)14-4-6-18-7-5-14/h10H,2-9H2,1H3
InChIKeyRCJMGHOEJPGXEE-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.66
Rot. Bonds3

About methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate

methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate (PubChem CID 112730542) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
PubChem CID112730542
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c1-17-12(16)10-2-3-13(8-10)9-11(15)14-4-6-18-7-5-14/h10H,2-9H2,1H3
InChIKeyRCJMGHOEJPGXEE-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
ethane;methyl 1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidine-3-carboxylate
CID 144839973
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79874187
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate (CID 112730542) is methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate?
The InChIKey is RCJMGHOEJPGXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-17-12(16)10-2-3-13(8-10)9-11(15)14-4-6-18-7-5-14/h10H,2-9H2,1H3.
What are the key properties of methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate?
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate has a molecular weight of 256.30 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112730542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).