3-amino-2-formamido-3-iminopropanamide

C4H8N4O2 — CID 44719376

IUPAC3-amino-2-formamido-3-iminopropanamide
SMILES[H]/N=C(\N)C(NC=O)C(N)=O
InChIInChI=1S/C4H8N4O2/c5-3(6)2(4(7)10)8-1-9/h1-2H,(H3,5,6)(H2,7,10)(H,8,9)
InChIKeyINDXUJXNSGYMEE-UHFFFAOYSA-N
MW144.13 g/mol
LogP-2.48
Rot. Bonds4

About 3-amino-2-formamido-3-iminopropanamide

3-amino-2-formamido-3-iminopropanamide (PubChem CID 44719376) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-amino-2-formamido-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-2-formamido-3-iminopropanamide
PubChem CID44719376
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name3-amino-2-formamido-3-iminopropanamide
SMILES[H]/N=C(\N)C(NC=O)C(N)=O
InChIInChI=1S/C4H8N4O2/c5-3(6)2(4(7)10)8-1-9/h1-2H,(H3,5,6)(H2,7,10)(H,8,9)
InChIKeyINDXUJXNSGYMEE-UHFFFAOYSA-N
XLogP-2.48
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-amino-2-formamido-3-iminopropanamide?
The IUPAC name of 3-amino-2-formamido-3-iminopropanamide (CID 44719376) is 3-amino-2-formamido-3-iminopropanamide.
What is the SMILES notation for 3-amino-2-formamido-3-iminopropanamide?
The canonical SMILES for 3-amino-2-formamido-3-iminopropanamide is [H]/N=C(\N)C(NC=O)C(N)=O.
What is the InChIKey of 3-amino-2-formamido-3-iminopropanamide?
The InChIKey is INDXUJXNSGYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-3(6)2(4(7)10)8-1-9/h1-2H,(H3,5,6)(H2,7,10)(H,8,9).
What are the key properties of 3-amino-2-formamido-3-iminopropanamide?
3-amino-2-formamido-3-iminopropanamide has a molecular weight of 144.13 g/mol, XLogP of -2.48, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-formamido-3-iminopropanamide is sourced from PubChem (CID 44719376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).