2-(diaminomethylideneamino)acetic acid

C3H7N3O2 — CID 45039367

IUPAC2-(diaminomethylideneamino)acetic acid
SMILESNC(N)=N[13CH2][13C](=O)O
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)/i1+1,2+1
InChIKeyBPMFZUMJYQTVII-ZDOIIHCHSA-N
MW119.09 g/mol
LogP-1.66
Rot. Bonds2

About 2-(diaminomethylideneamino)acetic acid

2-(diaminomethylideneamino)acetic acid (PubChem CID 45039367) has the molecular formula C3H7N3O2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)acetic acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)acetic acid
PubChem CID45039367
Molecular FormulaC3H7N3O2
Molecular Weight119.09 g/mol
Exact Mass119.06
IUPAC Name2-(diaminomethylideneamino)acetic acid
SMILESNC(N)=N[13CH2][13C](=O)O
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)/i1+1,2+1
InChIKeyBPMFZUMJYQTVII-ZDOIIHCHSA-N
XLogP-1.66
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-1.66
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?
The IUPAC name of 2-(diaminomethylideneamino)acetic acid (CID 45039367) is 2-(diaminomethylideneamino)acetic acid.
What is the SMILES notation for 2-(diaminomethylideneamino)acetic acid?
The canonical SMILES for 2-(diaminomethylideneamino)acetic acid is NC(N)=N[13CH2][13C](=O)O.
What is the InChIKey of 2-(diaminomethylideneamino)acetic acid?
The InChIKey is BPMFZUMJYQTVII-ZDOIIHCHSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)/i1+1,2+1.
What are the key properties of 2-(diaminomethylideneamino)acetic acid?
2-(diaminomethylideneamino)acetic acid has a molecular weight of 119.09 g/mol, XLogP of -1.66, 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 is sourced from PubChem (CID 45039367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).