methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate

C7H13N3O3 — CID 101248067

IUPACmethyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate
SMILESCNC(=O)N(C)/C=N/CC(=O)OC
InChIInChI=1S/C7H13N3O3/c1-8-7(12)10(2)5-9-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5+
InChIKeyYHCIJRFGHJXETG-WEVVVXLNSA-N
MW187.20 g/mol
LogP-0.54
Rot. Bonds3

About methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate

methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate (PubChem CID 101248067) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate
PubChem CID101248067
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Namemethyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate
SMILESCNC(=O)N(C)/C=N/CC(=O)OC
InChIInChI=1S/C7H13N3O3/c1-8-7(12)10(2)5-9-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5+
InChIKeyYHCIJRFGHJXETG-WEVVVXLNSA-N
XLogP-0.54
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate?
The IUPAC name of methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate (CID 101248067) is methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate.
What is the SMILES notation for methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate?
The canonical SMILES for methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate is CNC(=O)N(C)/C=N/CC(=O)OC.
What is the InChIKey of methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate?
The InChIKey is YHCIJRFGHJXETG-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-8-7(12)10(2)5-9-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5+.
What are the key properties of methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate?
methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate has a molecular weight of 187.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate is sourced from PubChem (CID 101248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).