1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid

C11H21NO3 — CID 71564982

IUPAC1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCCNC1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO3/c1-2-15-9-5-8-12-11(10(13)14)6-3-4-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyRBERXSUCRHUVDL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds7

About 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid

1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid (PubChem CID 71564982) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
PubChem CID71564982
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCCNC1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO3/c1-2-15-9-5-8-12-11(10(13)14)6-3-4-7-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeyRBERXSUCRHUVDL-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
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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Related Compounds

4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid
CID 71564984
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167838
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-(3-ethoxypropylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 61190263
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid (CID 71564982) is 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid is CCOCCCNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RBERXSUCRHUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-9-5-8-12-11(10(13)14)6-3-4-7-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid?
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71564982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).