methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate

C15H30N2O2 — CID 113246249

IUPACmethyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-9-14(15(18)19-4)17-11-10-13(12-17)16(6-2)7-3/h13-14H,5-12H2,1-4H3
InChIKeyBIPCZLPIZURTQQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.13
Rot. Bonds8

About methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate

methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate (PubChem CID 113246249) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
PubChem CID113246249
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-9-14(15(18)19-4)17-11-10-13(12-17)16(6-2)7-3/h13-14H,5-12H2,1-4H3
InChIKeyBIPCZLPIZURTQQ-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoate
CID 115722973
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
methyl 2-(4-ethylpiperazin-1-yl)hexanoate
CID 115608216
methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
CID 112697491
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexanoate
CID 115666836
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
methyl 2-(1,3-dihydroisoindol-2-yl)hexanoate
CID 113246431

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate?
The IUPAC name of methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate (CID 113246249) is methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate.
What is the SMILES notation for methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate?
The canonical SMILES for methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate is CCCCC(C(=O)OC)N1CCC(N(CC)CC)C1.
What is the InChIKey of methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate?
The InChIKey is BIPCZLPIZURTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-9-14(15(18)19-4)17-11-10-13(12-17)16(6-2)7-3/h13-14H,5-12H2,1-4H3.
What are the key properties of methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate?
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate has a molecular weight of 270.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 113246249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).