methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate

C6H11N3O4 — CID 21441972

IUPACmethyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)/N=C(/N)OC
InChIInChI=1S/C6H11N3O4/c1-12-4(10)3-8-6(11)9-5(7)13-2/h3H2,1-2H3,(H3,7,8,9,11)
InChIKeyUEEXNQKXSAMGEK-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.17
Rot. Bonds2

About methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate

methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate (PubChem CID 21441972) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate
PubChem CID21441972
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namemethyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)/N=C(/N)OC
InChIInChI=1S/C6H11N3O4/c1-12-4(10)3-8-6(11)9-5(7)13-2/h3H2,1-2H3,(H3,7,8,9,11)
InChIKeyUEEXNQKXSAMGEK-UHFFFAOYSA-N
XLogP-1.17
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
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-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate (CID 21441972) is methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate is COC(=O)CNC(=O)/N=C(/N)OC.
What is the InChIKey of methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate?
The InChIKey is UEEXNQKXSAMGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-12-4(10)3-8-6(11)9-5(7)13-2/h3H2,1-2H3,(H3,7,8,9,11).
What are the key properties of methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate?
methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate has a molecular weight of 189.17 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-[amino(methoxy)methylidene]carbamoyl]amino]acetate is sourced from PubChem (CID 21441972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).