2-amino-2-prop-2-ynylpropanediamide

C6H9N3O2 — CID 62705424

IUPAC2-amino-2-prop-2-ynylpropanediamide
SMILESC#CCC(N)(C(N)=O)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-2-3-6(9,4(7)10)5(8)11/h1H,3,9H2,(H2,7,10)(H2,8,11)
InChIKeyCAQJDWYIQSKEEK-UHFFFAOYSA-N
MW155.16 g/mol
LogP-2.32
Rot. Bonds3

About 2-amino-2-prop-2-ynylpropanediamide

2-amino-2-prop-2-ynylpropanediamide (PubChem CID 62705424) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-2-prop-2-ynylpropanediamide.

Molecular Properties

Compound Name2-amino-2-prop-2-ynylpropanediamide
PubChem CID62705424
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-2-prop-2-ynylpropanediamide
SMILESC#CCC(N)(C(N)=O)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-2-3-6(9,4(7)10)5(8)11/h1H,3,9H2,(H2,7,10)(H2,8,11)
InChIKeyCAQJDWYIQSKEEK-UHFFFAOYSA-N
XLogP-2.32
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-prop-2-ynylpropanediamide?
The IUPAC name of 2-amino-2-prop-2-ynylpropanediamide (CID 62705424) is 2-amino-2-prop-2-ynylpropanediamide.
What is the SMILES notation for 2-amino-2-prop-2-ynylpropanediamide?
The canonical SMILES for 2-amino-2-prop-2-ynylpropanediamide is C#CCC(N)(C(N)=O)C(N)=O.
What is the InChIKey of 2-amino-2-prop-2-ynylpropanediamide?
The InChIKey is CAQJDWYIQSKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-3-6(9,4(7)10)5(8)11/h1H,3,9H2,(H2,7,10)(H2,8,11).
What are the key properties of 2-amino-2-prop-2-ynylpropanediamide?
2-amino-2-prop-2-ynylpropanediamide has a molecular weight of 155.16 g/mol, XLogP of -2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-prop-2-ynylpropanediamide is sourced from PubChem (CID 62705424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).