ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate

C12H24N2O2 — CID 63029527

IUPACethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
SMILESCCNC(CCN1CCCC1)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16-4-2)7-10-14-8-5-6-9-14/h11,13H,3-10H2,1-2H3
InChIKeyOGXXDRRZUPTUKE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds7

About ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate

ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate (PubChem CID 63029527) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
PubChem CID63029527
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
SMILESCCNC(CCN1CCCC1)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16-4-2)7-10-14-8-5-6-9-14/h11,13H,3-10H2,1-2H3
InChIKeyOGXXDRRZUPTUKE-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
ethyl 2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoate
CID 63040695
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate (CID 63029527) is ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate is CCNC(CCN1CCCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate?
The InChIKey is OGXXDRRZUPTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-11(12(15)16-4-2)7-10-14-8-5-6-9-14/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate?
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 63029527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).