1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid

C14H27NO4 — CID 79571683

IUPAC1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCCCCOCCOCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-8-18-10-11-19-9-6-12-5-4-7-14(12,15)13(16)17/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyPJXPRDGWALIKQR-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.79
Rot. Bonds10

About 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79571683) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79571683
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCCCCOCCOCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-8-18-10-11-19-9-6-12-5-4-7-14(12,15)13(16)17/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyPJXPRDGWALIKQR-UHFFFAOYSA-N
XLogP1.79
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid (CID 79571683) is 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid is CCCCOCCOCCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PJXPRDGWALIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-8-18-10-11-19-9-6-12-5-4-7-14(12,15)13(16)17/h12H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).