1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H23NO4 — CID 43396450

IUPAC1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOCCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-2-18-9-5-8-14-11(15)10-13(12(16)17)6-3-4-7-13/h2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyFNKMTEONLCTJOJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds8

About 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43396450) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43396450
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOCCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23NO4/c1-2-18-9-5-8-14-11(15)10-13(12(16)17)6-3-4-7-13/h2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyFNKMTEONLCTJOJ-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43396450) is 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCOCCCNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FNKMTEONLCTJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-18-9-5-8-14-11(15)10-13(12(16)17)6-3-4-7-13/h2-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43396450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).