2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid

C11H23NO4 — CID 103410839

IUPAC2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
SMILESCCCN(CCCOCCOC)CC(=O)O
InChIInChI=1S/C11H23NO4/c1-3-5-12(10-11(13)14)6-4-7-16-9-8-15-2/h3-10H2,1-2H3,(H,13,14)
InChIKeyBHKAEMDXVGAXGS-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.84
Rot. Bonds11

About 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid

2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid (PubChem CID 103410839) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
PubChem CID103410839
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
SMILESCCCN(CCCOCCOC)CC(=O)O
InChIInChI=1S/C11H23NO4/c1-3-5-12(10-11(13)14)6-4-7-16-9-8-15-2/h3-10H2,1-2H3,(H,13,14)
InChIKeyBHKAEMDXVGAXGS-UHFFFAOYSA-N
XLogP0.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
N'-[3-(2-methoxyethoxy)propyl]-N'-propylethane-1,2-diamine
CID 103409202
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
CID 119189224
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid (CID 103410839) is 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid is CCCN(CCCOCCOC)CC(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid?
The InChIKey is BHKAEMDXVGAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-5-12(10-11(13)14)6-4-7-16-9-8-15-2/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid?
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid is sourced from PubChem (CID 103410839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).