methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate

C10H15NO6 — CID 102133270

IUPACmethyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)CC1CN([C@@H](C)C(=O)OC)C(=O)O1
InChIInChI=1S/C10H15NO6/c1-6(9(13)16-3)11-5-7(17-10(11)14)4-8(12)15-2/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeySGGYDYXAAXEZAW-PKPIPKONSA-N
MW245.23 g/mol
LogP-0.07
Rot. Bonds4

About methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate

methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate (PubChem CID 102133270) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
PubChem CID102133270
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Namemethyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)CC1CN([C@@H](C)C(=O)OC)C(=O)O1
InChIInChI=1S/C10H15NO6/c1-6(9(13)16-3)11-5-7(17-10(11)14)4-8(12)15-2/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeySGGYDYXAAXEZAW-PKPIPKONSA-N
XLogP-0.07
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate with MolForge

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Related Compounds

2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoate
CID 67272214
methyl 2-(2-oxoimidazolidin-1-yl)propanoate
CID 115370601
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
methyl 2-(6-methyl-4-phosphanylmorpholin-2-yl)acetate
CID 20714261
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 112594210
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate (CID 102133270) is methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate is COC(=O)CC1CN([C@@H](C)C(=O)OC)C(=O)O1.
What is the InChIKey of methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is SGGYDYXAAXEZAW-PKPIPKONSA-N. The full InChI is InChI=1S/C10H15NO6/c1-6(9(13)16-3)11-5-7(17-10(11)14)4-8(12)15-2/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate?
methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 245.23 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[5-(2-methoxy-2-oxoethyl)-2-oxo-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 102133270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).