4-amino-3-(aminomethyl)but-2-enamide

C5H11N3O — CID 88783257

IUPAC4-amino-3-(aminomethyl)but-2-enamide
SMILESNCC(=CC(N)=O)CN
InChIInChI=1S/C5H11N3O/c6-2-4(3-7)1-5(8)9/h1H,2-3,6-7H2,(H2,8,9)
InChIKeyXKGIXIUQJGIISB-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.68
Rot. Bonds3

About 4-amino-3-(aminomethyl)but-2-enamide

4-amino-3-(aminomethyl)but-2-enamide (PubChem CID 88783257) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-amino-3-(aminomethyl)but-2-enamide.

Molecular Properties

Compound Name4-amino-3-(aminomethyl)but-2-enamide
PubChem CID88783257
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-amino-3-(aminomethyl)but-2-enamide
SMILESNCC(=CC(N)=O)CN
InChIInChI=1S/C5H11N3O/c6-2-4(3-7)1-5(8)9/h1H,2-3,6-7H2,(H2,8,9)
InChIKeyXKGIXIUQJGIISB-UHFFFAOYSA-N
XLogP-1.68
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;prop-2-enamide
CID 87241070
2-(15N)azanylacetamide;hydrochloride
CID 131708744
2-aminoacetamide;dihydrobromide
CID 20567050
2-aminoacetamide;methane
CID 174826964
(E)-3-amino-3-chloroprop-2-enamide
CID 88583190
(Z)-2-hydroxybut-2-enediamide
CID 142800168
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
bis((Z)-3-amino-3-hydroxyprop-2-enamide);oxovanadium
CID 59391475
4-amino-3-(aminomethyl)but-3-enoic acid
CID 173281825
(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide
CID 89429032
penta-2,3-dienediamide
CID 176532064
4-aminobut-2-enamide;hydrochloride
CID 171148089

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(aminomethyl)but-2-enamide?
The IUPAC name of 4-amino-3-(aminomethyl)but-2-enamide (CID 88783257) is 4-amino-3-(aminomethyl)but-2-enamide.
What is the SMILES notation for 4-amino-3-(aminomethyl)but-2-enamide?
The canonical SMILES for 4-amino-3-(aminomethyl)but-2-enamide is NCC(=CC(N)=O)CN.
What is the InChIKey of 4-amino-3-(aminomethyl)but-2-enamide?
The InChIKey is XKGIXIUQJGIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-2-4(3-7)1-5(8)9/h1H,2-3,6-7H2,(H2,8,9).
What are the key properties of 4-amino-3-(aminomethyl)but-2-enamide?
4-amino-3-(aminomethyl)but-2-enamide has a molecular weight of 129.16 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(aminomethyl)but-2-enamide is sourced from PubChem (CID 88783257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).