oxolan-3-ylmethyl 3-(ethylamino)propanoate

C10H19NO3 — CID 62329002

IUPACoxolan-3-ylmethyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-11-5-3-10(12)14-8-9-4-6-13-7-9/h9,11H,2-8H2,1H3
InChIKeyNZTUTKKDRDXTHR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.57
Rot. Bonds6

About oxolan-3-ylmethyl 3-(ethylamino)propanoate

oxolan-3-ylmethyl 3-(ethylamino)propanoate (PubChem CID 62329002) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-(ethylamino)propanoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-(ethylamino)propanoate
PubChem CID62329002
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-ylmethyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-11-5-3-10(12)14-8-9-4-6-13-7-9/h9,11H,2-8H2,1H3
InChIKeyNZTUTKKDRDXTHR-UHFFFAOYSA-N
XLogP0.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

oxolan-3-ylmethyl (Z)-octadec-9-enoate
CID 21160037
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258784
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
oxolan-3-ylmethyl 2-piperazin-1-ylacetate
CID 62311858
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-(ethylamino)propanoate?
The IUPAC name of oxolan-3-ylmethyl 3-(ethylamino)propanoate (CID 62329002) is oxolan-3-ylmethyl 3-(ethylamino)propanoate.
What is the SMILES notation for oxolan-3-ylmethyl 3-(ethylamino)propanoate?
The canonical SMILES for oxolan-3-ylmethyl 3-(ethylamino)propanoate is CCNCCC(=O)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 3-(ethylamino)propanoate?
The InChIKey is NZTUTKKDRDXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11-5-3-10(12)14-8-9-4-6-13-7-9/h9,11H,2-8H2,1H3.
What are the key properties of oxolan-3-ylmethyl 3-(ethylamino)propanoate?
oxolan-3-ylmethyl 3-(ethylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-(ethylamino)propanoate is sourced from PubChem (CID 62329002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).