azane;2-(diaminomethylideneamino)acetic acid

C3H10N4O2 — CID 174297206

IUPACazane;2-(diaminomethylideneamino)acetic acid
SMILESN.NC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3
InChIKeyANIBOECCFZKQLA-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.49
Rot. Bonds2

About azane;2-(diaminomethylideneamino)acetic acid

azane;2-(diaminomethylideneamino)acetic acid (PubChem CID 174297206) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is azane;2-(diaminomethylideneamino)acetic acid.

Molecular Properties

Compound Nameazane;2-(diaminomethylideneamino)acetic acid
PubChem CID174297206
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Nameazane;2-(diaminomethylideneamino)acetic acid
SMILESN.NC(N)=NCC(=O)O
InChIInChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3
InChIKeyANIBOECCFZKQLA-UHFFFAOYSA-N
XLogP-1.49
TPSA136.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(diaminomethylideneamino)acetic acid;hydrate
CID 141191811
2-(diaminomethylideneamino)acetic acid;1,4-xylene
CID 174978507
2-amino-4-methylsulfanylbutanoic acid;2-(diaminomethylideneamino)acetic acid
CID 25151356
(2E)-3-(diaminomethylideneamino)-2-hydroxyiminopropanoic acid
CID 118493104
hydroxymethyl 2-(diaminomethylideneamino)acetate
CID 174312197
sodium;2-(diaminomethylideneamino)acetic acid;hydride;16-methylheptadecanal
CID 174828578
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
2-[2-(diaminomethylideneamino)acetyl]oxypropanoic acid
CID 175207726
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
(2Z)-2-[3-(diaminomethylideneamino)propylidene]butanedioic acid
CID 25110755
6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
CID 87620190
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
CID 135472003

Frequently Asked Questions

What is the IUPAC name of azane;2-(diaminomethylideneamino)acetic acid?
The IUPAC name of azane;2-(diaminomethylideneamino)acetic acid (CID 174297206) is azane;2-(diaminomethylideneamino)acetic acid.
What is the SMILES notation for azane;2-(diaminomethylideneamino)acetic acid?
The canonical SMILES for azane;2-(diaminomethylideneamino)acetic acid is N.NC(N)=NCC(=O)O.
What is the InChIKey of azane;2-(diaminomethylideneamino)acetic acid?
The InChIKey is ANIBOECCFZKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.H3N/c4-3(5)6-1-2(7)8;/h1H2,(H,7,8)(H4,4,5,6);1H3.
What are the key properties of azane;2-(diaminomethylideneamino)acetic acid?
azane;2-(diaminomethylideneamino)acetic acid has a molecular weight of 134.14 g/mol, XLogP of -1.49, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(diaminomethylideneamino)acetic acid is sourced from PubChem (CID 174297206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).