ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate

C11H18N2O5 — CID 11032564

IUPACethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1COC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O5/c1-2-18-11(15)13-8-17-7-9(13)10(14)12-3-5-16-6-4-12/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyPRMJDLRUBRUMNQ-VIFPVBQESA-N
MW258.27 g/mol
LogP-0.34
Rot. Bonds2

About ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate

ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11032564) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate
PubChem CID11032564
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Nameethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1COC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O5/c1-2-18-11(15)13-8-17-7-9(13)10(14)12-3-5-16-6-4-12/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyPRMJDLRUBRUMNQ-VIFPVBQESA-N
XLogP-0.34
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone
CID 118688735
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 24733168
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate (CID 11032564) is ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1COC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is PRMJDLRUBRUMNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-18-11(15)13-8-17-7-9(13)10(14)12-3-5-16-6-4-12/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate?
ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11032564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).