2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid

C4H9N5O2 — CID 10654504

IUPAC2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid
SMILESNC(N)=N/C(N)=N/CC(=O)O
InChIInChI=1S/C4H9N5O2/c5-3(6)9-4(7)8-1-2(10)11/h1H2,(H,10,11)(H6,5,6,7,8,9)
InChIKeyDXQKUVSKMMTBFL-UHFFFAOYSA-N
MW159.15 g/mol
LogP-2.34
Rot. Bonds2

About 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid

2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid (PubChem CID 10654504) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid
PubChem CID10654504
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Name2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid
SMILESNC(N)=N/C(N)=N/CC(=O)O
InChIInChI=1S/C4H9N5O2/c5-3(6)9-4(7)8-1-2(10)11/h1H2,(H,10,11)(H6,5,6,7,8,9)
InChIKeyDXQKUVSKMMTBFL-UHFFFAOYSA-N
XLogP-2.34
TPSA140.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
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-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid (CID 10654504) is 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid is NC(N)=N/C(N)=N/CC(=O)O.
What is the InChIKey of 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid?
The InChIKey is DXQKUVSKMMTBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2/c5-3(6)9-4(7)8-1-2(10)11/h1H2,(H,10,11)(H6,5,6,7,8,9).
What are the key properties of 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid?
2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid has a molecular weight of 159.15 g/mol, XLogP of -2.34, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(diaminomethylideneamino)methylidene]amino]acetic acid is sourced from PubChem (CID 10654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).