ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate

C14H23NO5 — CID 165488230

IUPACethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
SMILESCCOC(=O)CC(=O)N1CCOCC1CC1CCOC1
InChIInChI=1S/C14H23NO5/c1-2-20-14(17)8-13(16)15-4-6-19-10-12(15)7-11-3-5-18-9-11/h11-12H,2-10H2,1H3
InChIKeyGSKIJSHHBFPEBO-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.59
Rot. Bonds5

About ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate

ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate (PubChem CID 165488230) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
PubChem CID165488230
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
SMILESCCOC(=O)CC(=O)N1CCOCC1CC1CCOC1
InChIInChI=1S/C14H23NO5/c1-2-20-14(17)8-13(16)15-4-6-19-10-12(15)7-11-3-5-18-9-11/h11-12H,2-10H2,1H3
InChIKeyGSKIJSHHBFPEBO-UHFFFAOYSA-N
XLogP0.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[3-(oxolan-3-ylmethyl)morpholin-4-yl]acetate
CID 165477067
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
CID 46994260
ethyl 3-[2-(2-ethoxy-2-oxoethyl)pyrrolidin-1-yl]-3-oxopropanoate
CID 139663966
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 138025218

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate?
The IUPAC name of ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate (CID 165488230) is ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate?
The canonical SMILES for ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate is CCOC(=O)CC(=O)N1CCOCC1CC1CCOC1.
What is the InChIKey of ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate?
The InChIKey is GSKIJSHHBFPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-2-20-14(17)8-13(16)15-4-6-19-10-12(15)7-11-3-5-18-9-11/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate?
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate has a molecular weight of 285.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate is sourced from PubChem (CID 165488230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).