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

C12H18N2O4 — CID 112733697

IUPACmethyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-18-12(17)9-4-6-14(7-9)11(16)8-13-5-2-3-10(13)15/h9H,2-8H2,1H3
InChIKeyXZSBGICDABUCRD-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.37
Rot. Bonds3

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

methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate (PubChem CID 112733697) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
PubChem CID112733697
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-18-12(17)9-4-6-14(7-9)11(16)8-13-5-2-3-10(13)15/h9H,2-8H2,1H3
InChIKeyXZSBGICDABUCRD-UHFFFAOYSA-N
XLogP-0.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S,4R)-3-methyl-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylate
CID 124619916
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
CID 78919114
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971295
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate (CID 112733697) is methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)CN2CCCC2=O)C1.
What is the InChIKey of methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate?
The InChIKey is XZSBGICDABUCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-18-12(17)9-4-6-14(7-9)11(16)8-13-5-2-3-10(13)15/h9H,2-8H2,1H3.
What are the key properties of methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112733697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).