4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide

C8H14N4O2 — CID 123939768

IUPAC4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide
SMILES[H]/N=C(/C/C(C)=N/C(C)C(N)=O)C(N)=O
InChIInChI=1S/C8H14N4O2/c1-4(3-6(9)8(11)14)12-5(2)7(10)13/h5,9H,3H2,1-2H3,(H2,10,13)(H2,11,14)/b9-6-,12-4+
InChIKeyZZJCFERDVUEUHF-IXOOULEFSA-N
MW198.23 g/mol
LogP-0.78
Rot. Bonds5

About 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide

4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide (PubChem CID 123939768) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide.

Molecular Properties

Compound Name4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide
PubChem CID123939768
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide
SMILES[H]/N=C(/C/C(C)=N/C(C)C(N)=O)C(N)=O
InChIInChI=1S/C8H14N4O2/c1-4(3-6(9)8(11)14)12-5(2)7(10)13/h5,9H,3H2,1-2H3,(H2,10,13)(H2,11,14)/b9-6-,12-4+
InChIKeyZZJCFERDVUEUHF-IXOOULEFSA-N
XLogP-0.78
TPSA122.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide?
The IUPAC name of 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide (CID 123939768) is 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide.
What is the SMILES notation for 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide?
The canonical SMILES for 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide is [H]/N=C(/C/C(C)=N/C(C)C(N)=O)C(N)=O.
What is the InChIKey of 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide?
The InChIKey is ZZJCFERDVUEUHF-IXOOULEFSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(3-6(9)8(11)14)12-5(2)7(10)13/h5,9H,3H2,1-2H3,(H2,10,13)(H2,11,14)/b9-6-,12-4+.
What are the key properties of 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide?
4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide has a molecular weight of 198.23 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-oxopropan-2-yl)imino-2-iminopentanamide is sourced from PubChem (CID 123939768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).