4-amino-3-(but-3-ynylamino)butanamide

C8H15N3O — CID 116641146

IUPAC4-amino-3-(but-3-ynylamino)butanamide
SMILESC#CCCNC(CN)CC(N)=O
InChIInChI=1S/C8H15N3O/c1-2-3-4-11-7(6-9)5-8(10)12/h1,7,11H,3-6,9H2,(H2,10,12)
InChIKeyWTPXMJKEANZHIA-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.20
Rot. Bonds6

About 4-amino-3-(but-3-ynylamino)butanamide

4-amino-3-(but-3-ynylamino)butanamide (PubChem CID 116641146) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-3-(but-3-ynylamino)butanamide.

Molecular Properties

Compound Name4-amino-3-(but-3-ynylamino)butanamide
PubChem CID116641146
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-3-(but-3-ynylamino)butanamide
SMILESC#CCCNC(CN)CC(N)=O
InChIInChI=1S/C8H15N3O/c1-2-3-4-11-7(6-9)5-8(10)12/h1,7,11H,3-6,9H2,(H2,10,12)
InChIKeyWTPXMJKEANZHIA-UHFFFAOYSA-N
XLogP-1.20
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(but-3-ynylamino)butanamide?
The IUPAC name of 4-amino-3-(but-3-ynylamino)butanamide (CID 116641146) is 4-amino-3-(but-3-ynylamino)butanamide.
What is the SMILES notation for 4-amino-3-(but-3-ynylamino)butanamide?
The canonical SMILES for 4-amino-3-(but-3-ynylamino)butanamide is C#CCCNC(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-(but-3-ynylamino)butanamide?
The InChIKey is WTPXMJKEANZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-11-7(6-9)5-8(10)12/h1,7,11H,3-6,9H2,(H2,10,12).
What are the key properties of 4-amino-3-(but-3-ynylamino)butanamide?
4-amino-3-(but-3-ynylamino)butanamide has a molecular weight of 169.23 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(but-3-ynylamino)butanamide is sourced from PubChem (CID 116641146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).