(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate

C8H13NO4 — CID 118050079

IUPAC(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
SMILESCOC(=O)COC(=O)N1CCCC1
InChIInChI=1S/C8H13NO4/c1-12-7(10)6-13-8(11)9-4-2-3-5-9/h2-6H2,1H3
InChIKeyPKOJVKCJQOCHJW-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.39
Rot. Bonds2

About (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate

(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate (PubChem CID 118050079) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
PubChem CID118050079
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
SMILESCOC(=O)COC(=O)N1CCCC1
InChIInChI=1S/C8H13NO4/c1-12-7(10)6-13-8(11)9-4-2-3-5-9/h2-6H2,1H3
InChIKeyPKOJVKCJQOCHJW-UHFFFAOYSA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate
CID 169224077
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl azetidine-1-carboxylate
CID 14088501
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
CID 123683302
CID 123683302
methyl 2-piperidin-1-yloxyacetate
CID 140984705
propyl azepane-1-carboxylate
CID 91585333
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
fluoromethyl piperidine-1-carboxylate
CID 141168732
2-aminopropyl pyrrolidine-1-carboxylate
CID 175158579

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate (CID 118050079) is (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate is COC(=O)COC(=O)N1CCCC1.
What is the InChIKey of (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate?
The InChIKey is PKOJVKCJQOCHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-12-7(10)6-13-8(11)9-4-2-3-5-9/h2-6H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate?
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 118050079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).