ethyl (2S)-2-hydroxypentanoate

C7H14O3 — CID 13237361

IUPACethyl (2S)-2-hydroxypentanoate
SMILESCCC[C@H](O)C(=O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMQGTZMCASHTGBJ-LURJTMIESA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds4

About ethyl (2S)-2-hydroxypentanoate

ethyl (2S)-2-hydroxypentanoate (PubChem CID 13237361) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxypentanoate
PubChem CID13237361
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl (2S)-2-hydroxypentanoate
SMILESCCC[C@H](O)C(=O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMQGTZMCASHTGBJ-LURJTMIESA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxypentanoate?
The IUPAC name of ethyl (2S)-2-hydroxypentanoate (CID 13237361) is ethyl (2S)-2-hydroxypentanoate.
What is the SMILES notation for ethyl (2S)-2-hydroxypentanoate?
The canonical SMILES for ethyl (2S)-2-hydroxypentanoate is CCC[C@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-hydroxypentanoate?
The InChIKey is MQGTZMCASHTGBJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxypentanoate?
ethyl (2S)-2-hydroxypentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxypentanoate is sourced from PubChem (CID 13237361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).