ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate

C10H19NO3 — CID 107095448

IUPACethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)7-11-5-3-9-4-6-13-8-9/h9,11H,2-8H2,1H3
InChIKeyMVXRXFPRDCDEBP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.57
Rot. Bonds6

About ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate

ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate (PubChem CID 107095448) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
PubChem CID107095448
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCC1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)7-11-5-3-9-4-6-13-8-9/h9,11H,2-8H2,1H3
InChIKeyMVXRXFPRDCDEBP-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

ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 4-[2-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103878953
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258784
ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
CID 61025111
methyl 2-acetamido-3-[2-(oxolan-3-yl)ethylamino]propanoate
CID 114131415
oxolan-3-ylmethyl 3-(ethylamino)propanoate
CID 62329002
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
CID 102671535
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate (CID 107095448) is ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate is CCOC(=O)CNCCC1CCOC1.
What is the InChIKey of ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate?
The InChIKey is MVXRXFPRDCDEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(12)7-11-5-3-9-4-6-13-8-9/h9,11H,2-8H2,1H3.
What are the key properties of ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate?
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate 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 ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate is sourced from PubChem (CID 107095448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).