2-(methylamino)propanediamide

C4H9N3O2 — CID 12682554

IUPAC2-(methylamino)propanediamide
SMILESCNC(C(N)=O)C(N)=O
InChIInChI=1S/C4H9N3O2/c1-7-2(3(5)8)4(6)9/h2,7H,1H3,(H2,5,8)(H2,6,9)
InChIKeyYRACUQDBECHCDH-UHFFFAOYSA-N
MW131.13 g/mol
LogP-2.45
Rot. Bonds3

About 2-(methylamino)propanediamide

2-(methylamino)propanediamide (PubChem CID 12682554) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(methylamino)propanediamide.

Molecular Properties

Compound Name2-(methylamino)propanediamide
PubChem CID12682554
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name2-(methylamino)propanediamide
SMILESCNC(C(N)=O)C(N)=O
InChIInChI=1S/C4H9N3O2/c1-7-2(3(5)8)4(6)9/h2,7H,1H3,(H2,5,8)(H2,6,9)
InChIKeyYRACUQDBECHCDH-UHFFFAOYSA-N
XLogP-2.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)propanediamide?
The IUPAC name of 2-(methylamino)propanediamide (CID 12682554) is 2-(methylamino)propanediamide.
What is the SMILES notation for 2-(methylamino)propanediamide?
The canonical SMILES for 2-(methylamino)propanediamide is CNC(C(N)=O)C(N)=O.
What is the InChIKey of 2-(methylamino)propanediamide?
The InChIKey is YRACUQDBECHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-7-2(3(5)8)4(6)9/h2,7H,1H3,(H2,5,8)(H2,6,9).
What are the key properties of 2-(methylamino)propanediamide?
2-(methylamino)propanediamide has a molecular weight of 131.13 g/mol, XLogP of -2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)propanediamide is sourced from PubChem (CID 12682554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).