3-[2-(ethylamino)ethylamino]propanoic acid

C7H16N2O2 — CID 15769358

IUPAC3-[2-(ethylamino)ethylamino]propanoic acid
SMILESCCNCCNCCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-2-8-5-6-9-4-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyUQSXFLNSFIZWHB-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.34
Rot. Bonds7

About 3-[2-(ethylamino)ethylamino]propanoic acid

3-[2-(ethylamino)ethylamino]propanoic acid (PubChem CID 15769358) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)ethylamino]propanoic acid
PubChem CID15769358
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[2-(ethylamino)ethylamino]propanoic acid
SMILESCCNCCNCCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-2-8-5-6-9-4-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyUQSXFLNSFIZWHB-UHFFFAOYSA-N
XLogP-0.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Amino-beta-methylaminopropionic acid
CID 28558
beta-(N-Methylamino)-L-alanine
CID 105089
N-methyl-beta-alanine
CID 75891
3-(1-Piperazinyl)propionic acid
CID 1837374
N-(2-Carboxyethyl)putrescine
CID 53477800
Putreanine
CID 161506
Spermic acid
CID 167029
sodium N-(2-aminoethyl)-beta-alaninate
CID 23711569
N-(2-carboxyethyl)-beta-alanine
CID 10456
Ethylenediamine-N,N'-dipropionic Acid Dihydrochloride
CID 11437359
Glycyl-beta-alanine
CID 97048
Ethylenediamine-N,N'-dipropionic acid
CID 535840

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(ethylamino)ethylamino]propanoic acid (CID 15769358) is 3-[2-(ethylamino)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(ethylamino)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(ethylamino)ethylamino]propanoic acid is CCNCCNCCC(=O)O.
What is the InChIKey of 3-[2-(ethylamino)ethylamino]propanoic acid?
The InChIKey is UQSXFLNSFIZWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-8-5-6-9-4-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-[2-(ethylamino)ethylamino]propanoic acid?
3-[2-(ethylamino)ethylamino]propanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethylamino]propanoic acid is sourced from PubChem (CID 15769358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).