[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate

C15H27NO8 — CID 159999585

IUPAC[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](C)O.CCOC(=O)[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO5.C5H10O3/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11;1-3-8-5(7)4(2)6/h8H,3-7H2,1-2H3;4,6H,3H2,1-2H3/t8-;4-/m00/s1
InChIKeyOHZLWZRHDZULNC-IPIKRLCPSA-N
MW349.38 g/mol
LogP0.34
Rot. Bonds5

About [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate

[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate (PubChem CID 159999585) has the molecular formula C15H27NO8 and a molecular weight of 349.38 g/mol. Its IUPAC name is [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
PubChem CID159999585
Molecular FormulaC15H27NO8
Molecular Weight349.38 g/mol
Exact Mass349.17
IUPAC Name[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](C)O.CCOC(=O)[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO5.C5H10O3/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11;1-3-8-5(7)4(2)6/h8H,3-7H2,1-2H3;4,6H,3H2,1-2H3/t8-;4-/m00/s1
InChIKeyOHZLWZRHDZULNC-IPIKRLCPSA-N
XLogP0.34
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
1-O-ethyl 4-O-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl) (E)-but-2-enedioate
CID 122667400
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate?
The IUPAC name of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate (CID 159999585) is [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate?
The canonical SMILES for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate is CCOC(=O)[C@H](C)O.CCOC(=O)[C@H](C)OC(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate?
The InChIKey is OHZLWZRHDZULNC-IPIKRLCPSA-N. The full InChI is InChI=1S/C10H17NO5.C5H10O3/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11;1-3-8-5(7)4(2)6/h8H,3-7H2,1-2H3;4,6H,3H2,1-2H3/t8-;4-/m00/s1.
What are the key properties of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate?
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate has a molecular weight of 349.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 159999585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).