2-(2-aminoethylamino)propanamide

C5H13N3O — CID 20551229

IUPAC2-(2-aminoethylamino)propanamide
SMILESCC(NCCN)C(N)=O
InChIInChI=1S/C5H13N3O/c1-4(5(7)9)8-3-2-6/h4,8H,2-3,6H2,1H3,(H2,7,9)
InChIKeyATQMJHBWRLYQNG-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.59
Rot. Bonds4

About 2-(2-aminoethylamino)propanamide

2-(2-aminoethylamino)propanamide (PubChem CID 20551229) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(2-aminoethylamino)propanamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)propanamide
PubChem CID20551229
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-(2-aminoethylamino)propanamide
SMILESCC(NCCN)C(N)=O
InChIInChI=1S/C5H13N3O/c1-4(5(7)9)8-3-2-6/h4,8H,2-3,6H2,1H3,(H2,7,9)
InChIKeyATQMJHBWRLYQNG-UHFFFAOYSA-N
XLogP-1.59
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)propanamide
CID 43086178
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
(2S)-2-(propylamino)propanamide
CID 28835957
2-(3-fluoropropylamino)propanamide
CID 81105726
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(3-methylbutylamino)propanamide
CID 43086017
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-aminoethylamino)butanamide
CID 62900229
2-(2-sulfamoylethylamino)propanamide
CID 114384800
2-(3-methylbut-3-enylamino)propanamide
CID 114472047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)propanamide?
The IUPAC name of 2-(2-aminoethylamino)propanamide (CID 20551229) is 2-(2-aminoethylamino)propanamide.
What is the SMILES notation for 2-(2-aminoethylamino)propanamide?
The canonical SMILES for 2-(2-aminoethylamino)propanamide is CC(NCCN)C(N)=O.
What is the InChIKey of 2-(2-aminoethylamino)propanamide?
The InChIKey is ATQMJHBWRLYQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(5(7)9)8-3-2-6/h4,8H,2-3,6H2,1H3,(H2,7,9).
What are the key properties of 2-(2-aminoethylamino)propanamide?
2-(2-aminoethylamino)propanamide has a molecular weight of 131.18 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)propanamide is sourced from PubChem (CID 20551229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).