1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid

C15H29NO4 — CID 106448929

IUPAC1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOCCOCC(C)C
InChIInChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(13,16-3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyGOMDARIVSPIVQW-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.91
Rot. Bonds10

About 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid

1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 106448929) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
PubChem CID106448929
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCOCCOCC(C)C
InChIInChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(13,16-3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyGOMDARIVSPIVQW-UHFFFAOYSA-N
XLogP1.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.91
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-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid (CID 106448929) is 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCOCCOCC(C)C.
What is the InChIKey of 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GOMDARIVSPIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(13,16-3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid?
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106448929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).