ethyl 2-(oxolan-3-ylmethylamino)pentanoate

C12H23NO3 — CID 79041046

IUPACethyl 2-(oxolan-3-ylmethylamino)pentanoate
SMILESCCCC(NCC1CCOC1)C(=O)OCC
InChIInChI=1S/C12H23NO3/c1-3-5-11(12(14)16-4-2)13-8-10-6-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyRPJMDCZCTOXUDL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds7

About ethyl 2-(oxolan-3-ylmethylamino)pentanoate

ethyl 2-(oxolan-3-ylmethylamino)pentanoate (PubChem CID 79041046) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-ylmethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-ylmethylamino)pentanoate
PubChem CID79041046
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-(oxolan-3-ylmethylamino)pentanoate
SMILESCCCC(NCC1CCOC1)C(=O)OCC
InChIInChI=1S/C12H23NO3/c1-3-5-11(12(14)16-4-2)13-8-10-6-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyRPJMDCZCTOXUDL-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
ethyl 2-(cyclopropylmethylamino)-5-methylsulfanylpentanoate
CID 103089350
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine
CID 106226251
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
CID 94181888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-ylmethylamino)pentanoate?
The IUPAC name of ethyl 2-(oxolan-3-ylmethylamino)pentanoate (CID 79041046) is ethyl 2-(oxolan-3-ylmethylamino)pentanoate.
What is the SMILES notation for ethyl 2-(oxolan-3-ylmethylamino)pentanoate?
The canonical SMILES for ethyl 2-(oxolan-3-ylmethylamino)pentanoate is CCCC(NCC1CCOC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(oxolan-3-ylmethylamino)pentanoate?
The InChIKey is RPJMDCZCTOXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-11(12(14)16-4-2)13-8-10-6-7-15-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(oxolan-3-ylmethylamino)pentanoate?
ethyl 2-(oxolan-3-ylmethylamino)pentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-ylmethylamino)pentanoate is sourced from PubChem (CID 79041046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).