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

C10H17NO5 — CID 90246484

IUPAC[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCOC(=O)[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKABFFCCJZBQURZ-QMMMGPOBSA-N
MW231.25 g/mol
LogP0.41
Rot. Bonds3

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

[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate (PubChem CID 90246484) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
PubChem CID90246484
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCOC(=O)[C@H](C)OC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyKABFFCCJZBQURZ-QMMMGPOBSA-N
XLogP0.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
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 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate (CID 90246484) is [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate is CCOC(=O)[C@H](C)OC(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is KABFFCCJZBQURZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-15-9(12)8(2)16-10(13)11-4-6-14-7-5-11/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate?
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 90246484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).