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

C12H23N3O3 — CID 60855369

IUPACethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CCN(CC)C1
InChIInChI=1S/C12H23N3O3/c1-3-15-6-5-10(9-15)7-13-12(17)14-8-11(16)18-4-2/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyITYVIZSNBDERGQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.19
Rot. Bonds6

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

ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate (PubChem CID 60855369) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate
PubChem CID60855369
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC1CCN(CC)C1
InChIInChI=1S/C12H23N3O3/c1-3-15-6-5-10(9-15)7-13-12(17)14-8-11(16)18-4-2/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyITYVIZSNBDERGQ-UHFFFAOYSA-N
XLogP0.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate (CID 60855369) is ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCC1CCN(CC)C1.
What is the InChIKey of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
The InChIKey is ITYVIZSNBDERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15-6-5-10(9-15)7-13-12(17)14-8-11(16)18-4-2/h10H,3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate?
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate has a molecular weight of 257.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 60855369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).