3-amino-2-carbamimidoyl-3-iminopropanoic acid

C4H8N4O2 — CID 141168112

IUPAC3-amino-2-carbamimidoyl-3-iminopropanoic acid
SMILES[H]/N=C(\N)C(C(=O)O)/C(N)=N/[H]
InChIInChI=1S/C4H8N4O2/c5-2(6)1(3(7)8)4(9)10/h1H,(H3,5,6)(H3,7,8)(H,9,10)
InChIKeyIQBLNYFPUZDWSY-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.44
Rot. Bonds3

About 3-amino-2-carbamimidoyl-3-iminopropanoic acid

3-amino-2-carbamimidoyl-3-iminopropanoic acid (PubChem CID 141168112) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-amino-2-carbamimidoyl-3-iminopropanoic acid.

Molecular Properties

Compound Name3-amino-2-carbamimidoyl-3-iminopropanoic acid
PubChem CID141168112
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name3-amino-2-carbamimidoyl-3-iminopropanoic acid
SMILES[H]/N=C(\N)C(C(=O)O)/C(N)=N/[H]
InChIInChI=1S/C4H8N4O2/c5-2(6)1(3(7)8)4(9)10/h1H,(H3,5,6)(H3,7,8)(H,9,10)
InChIKeyIQBLNYFPUZDWSY-UHFFFAOYSA-N
XLogP-1.44
TPSA137.04 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-2-carbamimidoyl-3-iminopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-carbamimidoyl-3-iminopropanoic acid?
The IUPAC name of 3-amino-2-carbamimidoyl-3-iminopropanoic acid (CID 141168112) is 3-amino-2-carbamimidoyl-3-iminopropanoic acid.
What is the SMILES notation for 3-amino-2-carbamimidoyl-3-iminopropanoic acid?
The canonical SMILES for 3-amino-2-carbamimidoyl-3-iminopropanoic acid is [H]/N=C(\N)C(C(=O)O)/C(N)=N/[H].
What is the InChIKey of 3-amino-2-carbamimidoyl-3-iminopropanoic acid?
The InChIKey is IQBLNYFPUZDWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-2(6)1(3(7)8)4(9)10/h1H,(H3,5,6)(H3,7,8)(H,9,10).
What are the key properties of 3-amino-2-carbamimidoyl-3-iminopropanoic acid?
3-amino-2-carbamimidoyl-3-iminopropanoic acid has a molecular weight of 144.13 g/mol, XLogP of -1.44, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-carbamimidoyl-3-iminopropanoic acid is sourced from PubChem (CID 141168112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).