2-(diaminomethylideneamino)acetic acid

C3H7N3O2 — CID 763

IUPAC2-(diaminomethylideneamino)acetic acid
SMILESNC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKeyBPMFZUMJYQTVII-UHFFFAOYSA-N
MW117.11 g/mol
LogP-1.66
Rot. Bonds2

About 2-(diaminomethylideneamino)acetic acid

2-(diaminomethylideneamino)acetic acid (PubChem CID 763) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)acetic acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)acetic acid
PubChem CID763
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name2-(diaminomethylideneamino)acetic acid
SMILESNC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKeyBPMFZUMJYQTVII-UHFFFAOYSA-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 ≤ 500117.11
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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Related Compounds

2-(Diaminomethylideneammonio)acetate
CID 3946848
N-Formimidoylglycine
CID 908
Carbamimidamidoacetate
CID 21951818
N-(Diaminomethylidene)(2,2-~2~H_2_)glycine
CID 71309039
2-[[Amino-(diaminomethylideneamino)methylidene]amino]acetic acid
CID 10654504
2-[[Amino-(hydroxyamino)methylidene]amino]acetic acid
CID 10820563
Glycocyamine hydrochloride
CID 12205329
Guanidoacetic acid hydrobromide
CID 129655063
Carboxymethyl(diaminomethylidene)azanium chloride
CID 139234334
N-(Diaminomethylidene)(~13~C_2_)glycine
CID 45039367
2-(Diaminomethylideneamino)-2-fluoroacetic acid
CID 57082315
Carboxymethyl(diaminomethylidene)azanium
CID 6342367

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)acetic acid?
The IUPAC name of 2-(diaminomethylideneamino)acetic acid (CID 763) 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)=NCC(=O)O.
What is the InChIKey of 2-(diaminomethylideneamino)acetic acid?
The InChIKey is BPMFZUMJYQTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6).
What are the key properties of 2-(diaminomethylideneamino)acetic acid?
2-(diaminomethylideneamino)acetic acid has a molecular weight of 117.11 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 763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).