1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid

C13H25NO6 — CID 104565132

IUPAC1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
SMILESCOCCOCCOCCOC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H25NO6/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-13(14,10-11)12(15)16/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyWYWMEDYDRVSDDT-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.02
Rot. Bonds11

About 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid

1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid (PubChem CID 104565132) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
PubChem CID104565132
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
SMILESCOCCOCCOCCOC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H25NO6/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-13(14,10-11)12(15)16/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyWYWMEDYDRVSDDT-UHFFFAOYSA-N
XLogP0.02
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid (CID 104565132) is 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid is COCCOCCOCCOC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid?
The InChIKey is WYWMEDYDRVSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-13(14,10-11)12(15)16/h11H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid?
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid has a molecular weight of 291.34 g/mol, XLogP of 0.02, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104565132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).