methyl 2-[(N'-methylcarbamimidoyl)amino]acetate

C5H11N3O2 — CID 62359153

IUPACmethyl 2-[(N'-methylcarbamimidoyl)amino]acetate
SMILESC/N=C(\N)NCC(=O)OC
InChIInChI=1S/C5H11N3O2/c1-7-5(6)8-3-4(9)10-2/h3H2,1-2H3,(H3,6,7,8)
InChIKeyFBYCOPUSGRWABT-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.31
Rot. Bonds2

About methyl 2-[(N'-methylcarbamimidoyl)amino]acetate

methyl 2-[(N'-methylcarbamimidoyl)amino]acetate (PubChem CID 62359153) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-[(N'-methylcarbamimidoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(N'-methylcarbamimidoyl)amino]acetate
PubChem CID62359153
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Namemethyl 2-[(N'-methylcarbamimidoyl)amino]acetate
SMILESC/N=C(\N)NCC(=O)OC
InChIInChI=1S/C5H11N3O2/c1-7-5(6)8-3-4(9)10-2/h3H2,1-2H3,(H3,6,7,8)
InChIKeyFBYCOPUSGRWABT-UHFFFAOYSA-N
XLogP-1.31
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.31
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 methyl 2-[(N'-methylcarbamimidoyl)amino]acetate?
The IUPAC name of methyl 2-[(N'-methylcarbamimidoyl)amino]acetate (CID 62359153) is methyl 2-[(N'-methylcarbamimidoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(N'-methylcarbamimidoyl)amino]acetate?
The canonical SMILES for methyl 2-[(N'-methylcarbamimidoyl)amino]acetate is C/N=C(\N)NCC(=O)OC.
What is the InChIKey of methyl 2-[(N'-methylcarbamimidoyl)amino]acetate?
The InChIKey is FBYCOPUSGRWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-7-5(6)8-3-4(9)10-2/h3H2,1-2H3,(H3,6,7,8).
What are the key properties of methyl 2-[(N'-methylcarbamimidoyl)amino]acetate?
methyl 2-[(N'-methylcarbamimidoyl)amino]acetate has a molecular weight of 145.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(N'-methylcarbamimidoyl)amino]acetate is sourced from PubChem (CID 62359153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).