3-aminopropanoic acid;2-(ethylamino)propanamide

C8H19N3O3 — CID 87492228

IUPAC3-aminopropanoic acid;2-(ethylamino)propanamide
SMILESCCNC(C)C(N)=O.NCCC(=O)O
InChIInChI=1S/C5H12N2O.C3H7NO2/c1-3-7-4(2)5(6)8;4-2-1-3(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1-2,4H2,(H,5,6)
InChIKeyNJHLBFOQUIEKJA-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.11
Rot. Bonds5

About 3-aminopropanoic acid;2-(ethylamino)propanamide

3-aminopropanoic acid;2-(ethylamino)propanamide (PubChem CID 87492228) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-aminopropanoic acid;2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-aminopropanoic acid;2-(ethylamino)propanamide
PubChem CID87492228
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-aminopropanoic acid;2-(ethylamino)propanamide
SMILESCCNC(C)C(N)=O.NCCC(=O)O
InChIInChI=1S/C5H12N2O.C3H7NO2/c1-3-7-4(2)5(6)8;4-2-1-3(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1-2,4H2,(H,5,6)
InChIKeyNJHLBFOQUIEKJA-UHFFFAOYSA-N
XLogP-1.11
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;2-(ethylamino)propanamide?
The IUPAC name of 3-aminopropanoic acid;2-(ethylamino)propanamide (CID 87492228) is 3-aminopropanoic acid;2-(ethylamino)propanamide.
What is the SMILES notation for 3-aminopropanoic acid;2-(ethylamino)propanamide?
The canonical SMILES for 3-aminopropanoic acid;2-(ethylamino)propanamide is CCNC(C)C(N)=O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;2-(ethylamino)propanamide?
The InChIKey is NJHLBFOQUIEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C3H7NO2/c1-3-7-4(2)5(6)8;4-2-1-3(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid;2-(ethylamino)propanamide?
3-aminopropanoic acid;2-(ethylamino)propanamide has a molecular weight of 205.26 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;2-(ethylamino)propanamide is sourced from PubChem (CID 87492228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).