5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid

C12H25NO4 — CID 55137663

IUPAC5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
SMILESCOCCCN(CCCCC(=O)O)CCOC
InChIInChI=1S/C12H25NO4/c1-16-10-5-8-13(9-11-17-2)7-4-3-6-12(14)15/h3-11H2,1-2H3,(H,14,15)
InChIKeyIPROWZZLPPJJTP-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.23
Rot. Bonds12

About 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid

5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid (PubChem CID 55137663) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
PubChem CID55137663
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
SMILESCOCCCN(CCCCC(=O)O)CCOC
InChIInChI=1S/C12H25NO4/c1-16-10-5-8-13(9-11-17-2)7-4-3-6-12(14)15/h3-11H2,1-2H3,(H,14,15)
InChIKeyIPROWZZLPPJJTP-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.23
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

3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
8-bromooctanoic acid;8-methoxyoctanoic acid
CID 159933343
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
CID 106801581
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
4-(3-methoxypropoxy)butanoic acid
CID 60918159
3-[3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl-(2-carboxyethyl)amino]propanoic acid
CID 11309468

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid (CID 55137663) is 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid is COCCCN(CCCCC(=O)O)CCOC.
What is the InChIKey of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid?
The InChIKey is IPROWZZLPPJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-16-10-5-8-13(9-11-17-2)7-4-3-6-12(14)15/h3-11H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid?
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.23, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid is sourced from PubChem (CID 55137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).