ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate

C12H23NO3 — CID 104696501

IUPACethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CCCNC(C)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(14)5-4-7-13-10(2)11-6-8-15-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyXVLMFAXOPIWQTP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds7

About ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate

ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate (PubChem CID 104696501) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
PubChem CID104696501
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CCCNC(C)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(14)5-4-7-13-10(2)11-6-8-15-9-11/h10-11,13H,3-9H2,1-2H3
InChIKeyXVLMFAXOPIWQTP-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

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
ethyl 4-(1-cyclopropylpropylamino)butanoate
CID 64917599
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate?
The IUPAC name of ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate (CID 104696501) is ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate is CCOC(=O)CCCNC(C)C1CCOC1.
What is the InChIKey of ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate?
The InChIKey is XVLMFAXOPIWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-12(14)5-4-7-13-10(2)11-6-8-15-9-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate?
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate 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 4-[1-(oxolan-3-yl)ethylamino]butanoate is sourced from PubChem (CID 104696501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).