3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid

C7H17N3O4 — CID 122463166

IUPAC3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
SMILESNN(N)CCOCCOCCC(=O)O
InChIInChI=1S/C7H17N3O4/c8-10(9)2-4-14-6-5-13-3-1-7(11)12/h1-6,8-9H2,(H,11,12)
InChIKeySFGRAHWONVEGDL-UHFFFAOYSA-N
MW207.23 g/mol
LogP-1.46
Rot. Bonds9

About 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid

3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid (PubChem CID 122463166) has the molecular formula C7H17N3O4 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
PubChem CID122463166
Molecular FormulaC7H17N3O4
Molecular Weight207.23 g/mol
Exact Mass207.12
IUPAC Name3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
SMILESNN(N)CCOCCOCCC(=O)O
InChIInChI=1S/C7H17N3O4/c8-10(9)2-4-14-6-5-13-3-1-7(11)12/h1-6,8-9H2,(H,11,12)
InChIKeySFGRAHWONVEGDL-UHFFFAOYSA-N
XLogP-1.46
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[2-(diaminoamino)ethoxy]ethoxy]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

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
N,N-diamino-2-[2-[2-[2-(diaminoamino)ethoxy]ethoxy]ethoxy]ethanamine
CID 143163312
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-(2-aminoperoxyethoxy)propanoic acid
CID 174249816
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-(2-iodoethoxy)ethoxy]propanoic acid
CID 137354402

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid (CID 122463166) is 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid is NN(N)CCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid?
The InChIKey is SFGRAHWONVEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4/c8-10(9)2-4-14-6-5-13-3-1-7(11)12/h1-6,8-9H2,(H,11,12).
What are the key properties of 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid has a molecular weight of 207.23 g/mol, XLogP of -1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 122463166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).