ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate

C11H21N3O3 — CID 60854927

IUPACethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-17-10(15)7-13-11(16)12-6-9-4-5-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyRGBGQLOLSRNGBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.20
Rot. Bonds5

About ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate

ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate (PubChem CID 60854927) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate
PubChem CID60854927
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H21N3O3/c1-3-17-10(15)7-13-11(16)12-6-9-4-5-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16)
InChIKeyRGBGQLOLSRNGBS-UHFFFAOYSA-N
XLogP-0.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate (CID 60854927) is ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCC1CCN(C)C1.
What is the InChIKey of ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The InChIKey is RGBGQLOLSRNGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-17-10(15)7-13-11(16)12-6-9-4-5-14(2)8-9/h9H,3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate has a molecular weight of 243.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 60854927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).