methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

C11H19N3O4 — CID 47280826

IUPACmethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O4/c1-3-12-11(17)13-9(15)7-14-5-4-8(6-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)
InChIKeyCUFMCBHJTGVMIV-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.67
Rot. Bonds4

About methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 47280826) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID47280826
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCC(C(=O)OC)C1
InChIInChI=1S/C11H19N3O4/c1-3-12-11(17)13-9(15)7-14-5-4-8(6-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17)
InChIKeyCUFMCBHJTGVMIV-UHFFFAOYSA-N
XLogP-0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
CID 112730817
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (CID 47280826) is methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is CCNC(=O)NC(=O)CN1CCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is CUFMCBHJTGVMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-12-11(17)13-9(15)7-14-5-4-8(6-14)10(16)18-2/h8H,3-7H2,1-2H3,(H2,12,13,15,17).
What are the key properties of methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 47280826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).