2-amino-2-(prop-2-enylamino)acetamide

C5H11N3O — CID 87330395

IUPAC2-amino-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(N)C(N)=O
InChIInChI=1S/C5H11N3O/c1-2-3-8-4(6)5(7)9/h2,4,8H,1,3,6H2,(H2,7,9)
InChIKeyPWWSXPXFJGWAEP-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.47
Rot. Bonds4

About 2-amino-2-(prop-2-enylamino)acetamide

2-amino-2-(prop-2-enylamino)acetamide (PubChem CID 87330395) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound Name2-amino-2-(prop-2-enylamino)acetamide
PubChem CID87330395
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-amino-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(N)C(N)=O
InChIInChI=1S/C5H11N3O/c1-2-3-8-4(6)5(7)9/h2,4,8H,1,3,6H2,(H2,7,9)
InChIKeyPWWSXPXFJGWAEP-UHFFFAOYSA-N
XLogP-1.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(prop-2-enylamino)acetamide?
The IUPAC name of 2-amino-2-(prop-2-enylamino)acetamide (CID 87330395) is 2-amino-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for 2-amino-2-(prop-2-enylamino)acetamide?
The canonical SMILES for 2-amino-2-(prop-2-enylamino)acetamide is C=CCNC(N)C(N)=O.
What is the InChIKey of 2-amino-2-(prop-2-enylamino)acetamide?
The InChIKey is PWWSXPXFJGWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-2-3-8-4(6)5(7)9/h2,4,8H,1,3,6H2,(H2,7,9).
What are the key properties of 2-amino-2-(prop-2-enylamino)acetamide?
2-amino-2-(prop-2-enylamino)acetamide has a molecular weight of 129.16 g/mol, XLogP of -1.47, 4 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-enylamino)acetamide is sourced from PubChem (CID 87330395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).