methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate

C9H17NO3 — CID 55266585

IUPACmethyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate
SMILESCOC(=O)[C@H](C)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyYKHGVTHUYKJURE-JAMMHHFISA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds2

About methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate

methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate (PubChem CID 55266585) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate
PubChem CID55266585
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate
SMILESCOC(=O)[C@H](C)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyYKHGVTHUYKJURE-JAMMHHFISA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate?
The IUPAC name of methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate (CID 55266585) is methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate?
The canonical SMILES for methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate is COC(=O)[C@H](C)N1CCCC(O)C1.
What is the InChIKey of methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate?
The InChIKey is YKHGVTHUYKJURE-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(9(12)13-2)10-5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate?
methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate is sourced from PubChem (CID 55266585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).