methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate

C12H19NO5 — CID 131862823

IUPACmethyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CCC(C=O)C1CCCN1C(=O)OC
InChIInChI=1S/C12H19NO5/c1-17-11(15)6-5-9(8-14)10-4-3-7-13(10)12(16)18-2/h8-10H,3-7H2,1-2H3
InChIKeyNJMQILNZGLZMEX-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.99
Rot. Bonds5

About methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate

methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 131862823) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate
PubChem CID131862823
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CCC(C=O)C1CCCN1C(=O)OC
InChIInChI=1S/C12H19NO5/c1-17-11(15)6-5-9(8-14)10-4-3-7-13(10)12(16)18-2/h8-10H,3-7H2,1-2H3
InChIKeyNJMQILNZGLZMEX-UHFFFAOYSA-N
XLogP0.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881158
methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 86090306
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
CID 58226565
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
methyl 4-(2-oxoethyl)azepane-1-carboxylate
CID 83908232
methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate
CID 112710590
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate (CID 131862823) is methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate is COC(=O)CCC(C=O)C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is NJMQILNZGLZMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-17-11(15)6-5-9(8-14)10-4-3-7-13(10)12(16)18-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate?
methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 131862823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).