4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid

C11H25N3O3 — CID 175703832

IUPAC4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
SMILESCCOCNCCNCCNCCCC(=O)O
InChIInChI=1S/C11H25N3O3/c1-2-17-10-14-9-8-13-7-6-12-5-3-4-11(15)16/h12-14H,2-10H2,1H3,(H,15,16)
InChIKeyQRAZSTXRYFOMRI-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.39
Rot. Bonds13

About 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid

4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid (PubChem CID 175703832) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
PubChem CID175703832
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
SMILESCCOCNCCNCCNCCCC(=O)O
InChIInChI=1S/C11H25N3O3/c1-2-17-10-14-9-8-13-7-6-12-5-3-4-11(15)16/h12-14H,2-10H2,1H3,(H,15,16)
InChIKeyQRAZSTXRYFOMRI-UHFFFAOYSA-N
XLogP-0.39
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethylamino)butanoic acid
CID 43457194
3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
CID 177307033
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
2-[[2-[2-[2-(hexylamino)ethylamino]ethylamino]ethylamino]methoxy]acetic acid
CID 178182226
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid?
The IUPAC name of 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid (CID 175703832) is 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid?
The canonical SMILES for 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid is CCOCNCCNCCNCCCC(=O)O.
What is the InChIKey of 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid?
The InChIKey is QRAZSTXRYFOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-2-17-10-14-9-8-13-7-6-12-5-3-4-11(15)16/h12-14H,2-10H2,1H3,(H,15,16).
What are the key properties of 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid?
4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid has a molecular weight of 247.34 g/mol, XLogP of -0.39, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid is sourced from PubChem (CID 175703832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).