methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate

C12H18N2O5 — CID 115670168

IUPACmethyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CN1CCCC1=O
InChIInChI=1S/C12H18N2O5/c1-18-12(17)9-8-19-6-5-14(9)11(16)7-13-4-2-3-10(13)15/h9H,2-8H2,1H3
InChIKeySEQFIPPUMQGLEC-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.99
Rot. Bonds3

About methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate

methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate (PubChem CID 115670168) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
PubChem CID115670168
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CN1CCCC1=O
InChIInChI=1S/C12H18N2O5/c1-18-12(17)9-8-19-6-5-14(9)11(16)7-13-4-2-3-10(13)15/h9H,2-8H2,1H3
InChIKeySEQFIPPUMQGLEC-UHFFFAOYSA-N
XLogP-0.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971295
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
CID 113251792
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 4-[2-(3-nitropyrazol-1-yl)acetyl]morpholine-3-carboxylate
CID 115670046
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
CID 104774871
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate (CID 115670168) is methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CN1CCCC1=O.
What is the InChIKey of methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate?
The InChIKey is SEQFIPPUMQGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-18-12(17)9-8-19-6-5-14(9)11(16)7-13-4-2-3-10(13)15/h9H,2-8H2,1H3.
What are the key properties of methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate?
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate has a molecular weight of 270.28 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).