methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate

C11H20N2O3 — CID 112730817

IUPACmethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
SMILESCCNC(=O)CCN1CCC(C(=O)OC)C1
InChIInChI=1S/C11H20N2O3/c1-3-12-10(14)5-7-13-6-4-9(8-13)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyGSKIVGVPYSIXEK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds5

About methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate

methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate (PubChem CID 112730817) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
PubChem CID112730817
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
SMILESCCNC(=O)CCN1CCC(C(=O)OC)C1
InChIInChI=1S/C11H20N2O3/c1-3-12-10(14)5-7-13-6-4-9(8-13)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyGSKIVGVPYSIXEK-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl 1-but-2-enylpyrrolidine-3-carboxylate
CID 112730748
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate (CID 112730817) is methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate is CCNC(=O)CCN1CCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate?
The InChIKey is GSKIVGVPYSIXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12-10(14)5-7-13-6-4-9(8-13)11(15)16-2/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate?
methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112730817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).