UREA C-13

CH₄N₂O — CID 636363

About UREA C-13

UREA C-13 (PubChem CID 636363) has the molecular formula CH₄N₂O and a molecular weight of 61.05 g/mol. Its IUPAC name is diamino(113C)methanone.

Molecular Properties

• Compound Name: UREA C-13
• PubChem CID: 636363
• Molecular Formula: CH₄N₂O
• Molecular Weight: 61.05 g/mol
• Exact Mass: 61.04
• IUPAC Name: diamino(113C)methanone
• SMILES: N[13C](N)=O
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
• InChIKey: XSQUKJJJFZCRTK-OUBTZVSYSA-N
• XLogP: -0.98
• TPSA: 69.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	61.05
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of UREA C-13?

The IUPAC name of UREA C-13 (CID 636363) is diamino(113C)methanone.

What is the SMILES notation for UREA C-13?

The canonical SMILES for UREA C-13 is N[13C](N)=O.

What is the InChIKey of UREA C-13?

The InChIKey is XSQUKJJJFZCRTK-OUBTZVSYSA-N. The full InChI is InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1.

What are the key properties of UREA C-13?

UREA C-13 has a molecular weight of 61.05 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for UREA C-13 is sourced from PubChem (CID 636363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 636363 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4323 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.