1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid

C13H25NO3S — CID 79586535

IUPAC1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCSCCOC
InChIInChI=1S/C13H25NO3S/c1-3-14-13(12(15)16)7-4-5-11(13)6-9-18-10-8-17-2/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyZRZMXMBEEBSEIL-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.99
Rot. Bonds9

About 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid

1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79586535) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79586535
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC1CCSCCOC
InChIInChI=1S/C13H25NO3S/c1-3-14-13(12(15)16)7-4-5-11(13)6-9-18-10-8-17-2/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyZRZMXMBEEBSEIL-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.99
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-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid (CID 79586535) is 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCCC1CCSCCOC.
What is the InChIKey of 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZRZMXMBEEBSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-3-14-13(12(15)16)7-4-5-11(13)6-9-18-10-8-17-2/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid?
1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.41 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79586535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).