methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate

C9H13NO4 — CID 11446955

IUPACmethyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate
SMILESCOC(=O)[C@](C)(O)[C@H]1CCO[C@@H]1C#N
InChIInChI=1S/C9H13NO4/c1-9(12,8(11)13-2)6-3-4-14-7(6)5-10/h6-7,12H,3-4H2,1-2H3/t6-,7+,9+/m0/s1
InChIKeyMVUOCPXTDQQAGA-LKEWCRSYSA-N
MW199.21 g/mol
LogP-0.16
Rot. Bonds2

About methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate

methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate (PubChem CID 11446955) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate
PubChem CID11446955
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate
SMILESCOC(=O)[C@](C)(O)[C@H]1CCO[C@@H]1C#N
InChIInChI=1S/C9H13NO4/c1-9(12,8(11)13-2)6-3-4-14-7(6)5-10/h6-7,12H,3-4H2,1-2H3/t6-,7+,9+/m0/s1
InChIKeyMVUOCPXTDQQAGA-LKEWCRSYSA-N
XLogP-0.16
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate (CID 11446955) is methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate is COC(=O)[C@](C)(O)[C@H]1CCO[C@@H]1C#N.
What is the InChIKey of methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate?
The InChIKey is MVUOCPXTDQQAGA-LKEWCRSYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(12,8(11)13-2)6-3-4-14-7(6)5-10/h6-7,12H,3-4H2,1-2H3/t6-,7+,9+/m0/s1.
What are the key properties of methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate?
methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate has a molecular weight of 199.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate is sourced from PubChem (CID 11446955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).