methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate

C8H17N3O2 — CID 142132196

IUPACmethyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate
SMILESCCN(C)/C(=N\C)NCC(=O)OC
InChIInChI=1S/C8H17N3O2/c1-5-11(3)8(9-2)10-6-7(12)13-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyQMZMSNZTHRIWPS-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.31
Rot. Bonds3

About methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate

methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate (PubChem CID 142132196) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate
PubChem CID142132196
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Namemethyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate
SMILESCCN(C)/C(=N\C)NCC(=O)OC
InChIInChI=1S/C8H17N3O2/c1-5-11(3)8(9-2)10-6-7(12)13-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyQMZMSNZTHRIWPS-UHFFFAOYSA-N
XLogP-0.31
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[Dimethylamino-[(2-methoxy-2-oxoethyl)amino]methylidene]-dimethylazanium hexafluorophosphate
CID 139124738
methyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 62359153
ethyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 62359531
[2-[(N'-methylcarbamimidoyl)amino]acetyl] 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 87579218
propyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 87620850
tert-butyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 89238038
methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate
CID 112692989
2-[(N,N'-dimethylcarbamimidoyl)-methylamino]acetic acid
CID 118461681
ethyl 2-[(N,N'-diacetylcarbamimidoyl)-methylamino]acetate
CID 121478172
methyl 2-[(N,N'-diacetylcarbamimidoyl)-methylamino]acetate
CID 122596247
2-methylpropyl 2-[(N'-methyl-N-methylidenecarbamimidoyl)amino]acetate
CID 135256006
methyl 2-[methyl-(N'-methylcarbamimidoyl)amino]acetate
CID 142048352

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate?
The IUPAC name of methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate (CID 142132196) is methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate?
The canonical SMILES for methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate is CCN(C)/C(=N\C)NCC(=O)OC.
What is the InChIKey of methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate?
The InChIKey is QMZMSNZTHRIWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5-11(3)8(9-2)10-6-7(12)13-4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate?
methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate has a molecular weight of 187.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(N-ethyl-N,N'-dimethylcarbamimidoyl)amino]acetate is sourced from PubChem (CID 142132196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).