ethyl 2-[carbamimidoyl(methyl)amino]acetate

C6H13N3O2 — CID 10197817

IUPACethyl 2-[carbamimidoyl(methyl)amino]acetate
SMILES[H]/N=C(\N)N(C)CC(=O)OCC
InChIInChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)
InChIKeyUFUWQSYRGLMLKP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.63
Rot. Bonds3

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

ethyl 2-[carbamimidoyl(methyl)amino]acetate (PubChem CID 10197817) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl 2-[carbamimidoyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[carbamimidoyl(methyl)amino]acetate
PubChem CID10197817
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Nameethyl 2-[carbamimidoyl(methyl)amino]acetate
SMILES[H]/N=C(\N)N(C)CC(=O)OCC
InChIInChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)
InChIKeyUFUWQSYRGLMLKP-UHFFFAOYSA-N
XLogP-0.63
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 ethyl 2-[carbamimidoyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[carbamimidoyl(methyl)amino]acetate (CID 10197817) is ethyl 2-[carbamimidoyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[carbamimidoyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[carbamimidoyl(methyl)amino]acetate is [H]/N=C(\N)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[carbamimidoyl(methyl)amino]acetate?
The InChIKey is UFUWQSYRGLMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8).
What are the key properties of ethyl 2-[carbamimidoyl(methyl)amino]acetate?
ethyl 2-[carbamimidoyl(methyl)amino]acetate has a molecular weight of 159.19 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[carbamimidoyl(methyl)amino]acetate is sourced from PubChem (CID 10197817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).