2-(diaminomethylideneamino)acetic acid;methane

C4H11N3O2 — CID 20975273

IUPAC2-(diaminomethylideneamino)acetic acid;methane
SMILESC.NC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2.CH4/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H4
InChIKeyZQWBSEJUUJDURZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.02
Rot. Bonds2

About 2-(diaminomethylideneamino)acetic acid;methane

2-(diaminomethylideneamino)acetic acid;methane (PubChem CID 20975273) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)acetic acid;methane.

Molecular Properties

Compound Name2-(diaminomethylideneamino)acetic acid;methane
PubChem CID20975273
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name2-(diaminomethylideneamino)acetic acid;methane
SMILESC.NC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2.CH4/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H4
InChIKeyZQWBSEJUUJDURZ-UHFFFAOYSA-N
XLogP-1.02
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-(diaminomethylideneamino)acetic acid;methane?
The IUPAC name of 2-(diaminomethylideneamino)acetic acid;methane (CID 20975273) is 2-(diaminomethylideneamino)acetic acid;methane.
What is the SMILES notation for 2-(diaminomethylideneamino)acetic acid;methane?
The canonical SMILES for 2-(diaminomethylideneamino)acetic acid;methane is C.NC(N)=NCC(=O)O.
What is the InChIKey of 2-(diaminomethylideneamino)acetic acid;methane?
The InChIKey is ZQWBSEJUUJDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.CH4/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H4.
What are the key properties of 2-(diaminomethylideneamino)acetic acid;methane?
2-(diaminomethylideneamino)acetic acid;methane has a molecular weight of 133.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)acetic acid;methane is sourced from PubChem (CID 20975273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).