2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate

C10H21N3O4 — CID 54232059

IUPAC2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate
SMILES[H]/N=C(\N)N(C)CCOCCOCCOC(C)=O
InChIInChI=1S/C10H21N3O4/c1-9(14)17-8-7-16-6-5-15-4-3-13(2)10(11)12/h3-8H2,1-2H3,(H3,11,12)
InChIKeyQJZGIXVEMIWCER-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.59
Rot. Bonds9

About 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate

2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate (PubChem CID 54232059) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate
PubChem CID54232059
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate
SMILES[H]/N=C(\N)N(C)CCOCCOCCOC(C)=O
InChIInChI=1S/C10H21N3O4/c1-9(14)17-8-7-16-6-5-15-4-3-13(2)10(11)12/h3-8H2,1-2H3,(H3,11,12)
InChIKeyQJZGIXVEMIWCER-UHFFFAOYSA-N
XLogP-0.59
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate (CID 54232059) is 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate is [H]/N=C(\N)N(C)CCOCCOCCOC(C)=O.
What is the InChIKey of 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate?
The InChIKey is QJZGIXVEMIWCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-9(14)17-8-7-16-6-5-15-4-3-13(2)10(11)12/h3-8H2,1-2H3,(H3,11,12).
What are the key properties of 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate?
2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate has a molecular weight of 247.29 g/mol, XLogP of -0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 54232059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).