2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid

C6H9N5O2 — CID 174449125

IUPAC2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)Nn1ccnc1
InChIInChI=1S/C6H9N5O2/c7-6(9-3-5(12)13)10-11-2-1-8-4-11/h1-2,4H,3H2,(H,12,13)(H3,7,9,10)
InChIKeyVCJALDFENPNAOB-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.17
Rot. Bonds3

About 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid

2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid (PubChem CID 174449125) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid
PubChem CID174449125
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid
SMILESN/C(=N\CC(=O)O)Nn1ccnc1
InChIInChI=1S/C6H9N5O2/c7-6(9-3-5(12)13)10-11-2-1-8-4-11/h1-2,4H,3H2,(H,12,13)(H3,7,9,10)
InChIKeyVCJALDFENPNAOB-UHFFFAOYSA-N
XLogP-1.17
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(imidazol-1-ylamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid (CID 174449125) is 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid is N/C(=N\CC(=O)O)Nn1ccnc1.
What is the InChIKey of 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid?
The InChIKey is VCJALDFENPNAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-6(9-3-5(12)13)10-11-2-1-8-4-11/h1-2,4H,3H2,(H,12,13)(H3,7,9,10).
What are the key properties of 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid?
2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid has a molecular weight of 183.17 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(imidazol-1-ylamino)methylidene]amino]acetic acid is sourced from PubChem (CID 174449125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).