methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate

C7H13N3O3 — CID 91701115

IUPACmethyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)/N=C\N(C)C
InChIInChI=1S/C7H13N3O3/c1-10(2)5-9-7(12)8-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5-
InChIKeyLXVRBIBKGUBSAE-UITAMQMPSA-N
MW187.20 g/mol
LogP-0.54
Rot. Bonds3

About methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate

methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate (PubChem CID 91701115) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate
PubChem CID91701115
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Namemethyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)/N=C\N(C)C
InChIInChI=1S/C7H13N3O3/c1-10(2)5-9-7(12)8-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5-
InChIKeyLXVRBIBKGUBSAE-UITAMQMPSA-N
XLogP-0.54
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(diaminomethylidenecarbamoylamino)acetate;hydrochloride
CID 122193344
N'-methoxycarbonylmethylurea
CID 13572150
Ethyl 2-(diaminomethylidenecarbamoylamino)acetate
CID 122193345
Methyl 2-[methyl(methylcarbamoyl)amino]acetate
CID 57593701
methyl 2-[(N'-methylcarbamimidoyl)amino]acetate
CID 62359153
Ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
CID 118972479
Methyl 2-(2-oxo-1,3,5-triazin-1-yl)acetate
CID 140975825
methyl 2-[methyl-(N'-methylcarbamimidoyl)amino]acetate
CID 142048352
methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate
CID 21441972
Methyl 2-(dimethylcarbamoylamino)acetate
CID 79154313
Methyl 2-[[ethyl(methyl)carbamoyl]amino]acetate
CID 79163477
Methyl 2-[[methyl(methylcarbamoyl)amino]methylideneamino]acetate
CID 101248067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate (CID 91701115) is methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate is COC(=O)CNC(=O)/N=C\N(C)C.
What is the InChIKey of methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate?
The InChIKey is LXVRBIBKGUBSAE-UITAMQMPSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-10(2)5-9-7(12)8-4-6(11)13-3/h5H,4H2,1-3H3,(H,8,12)/b9-5-.
What are the key properties of methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate?
methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate has a molecular weight of 187.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-dimethylaminomethylidenecarbamoyl]amino]acetate is sourced from PubChem (CID 91701115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).