methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate

C13H26N2O2 — CID 103248818

IUPACmethyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
SMILESCCCCC(NCCN1CCCC1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-3-4-7-12(13(16)17-2)14-8-11-15-9-5-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyFACPBZUSUYLZFM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds8

About methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate

methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate (PubChem CID 103248818) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
PubChem CID103248818
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
SMILESCCCCC(NCCN1CCCC1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-3-4-7-12(13(16)17-2)14-8-11-15-9-5-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyFACPBZUSUYLZFM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
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methyl 2-(propylamino)octanoate
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methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
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2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
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methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
CID 55144311
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate
CID 115353237
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate?
The IUPAC name of methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate (CID 103248818) is methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate.
What is the SMILES notation for methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate?
The canonical SMILES for methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate is CCCCC(NCCN1CCCC1)C(=O)OC.
What is the InChIKey of methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate?
The InChIKey is FACPBZUSUYLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-7-12(13(16)17-2)14-8-11-15-9-5-6-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate?
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate is sourced from PubChem (CID 103248818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).