2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid

C12H21NO5 — CID 82760507

IUPAC2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOCCOCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(11(15)16)5-3-4-9(12)13-10(14)8-18-7-6-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQMEUCQQTUAUIFH-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.41
Rot. Bonds7

About 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760507) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760507
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOCCOCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(11(15)16)5-3-4-9(12)13-10(14)8-18-7-6-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQMEUCQQTUAUIFH-UHFFFAOYSA-N
XLogP0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.41
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 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760507) is 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid is COCCOCC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QMEUCQQTUAUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(11(15)16)5-3-4-9(12)13-10(14)8-18-7-6-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).