methyl 3-(3-hydroxypiperidin-4-yl)propanoate

C9H17NO3 — CID 105442552

IUPACmethyl 3-(3-hydroxypiperidin-4-yl)propanoate
SMILESCOC(=O)CCC1CCNCC1O
InChIInChI=1S/C9H17NO3/c1-13-9(12)3-2-7-4-5-10-6-8(7)11/h7-8,10-11H,2-6H2,1H3
InChIKeyBXGVFPGIXKEEFX-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About methyl 3-(3-hydroxypiperidin-4-yl)propanoate

methyl 3-(3-hydroxypiperidin-4-yl)propanoate (PubChem CID 105442552) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-(3-hydroxypiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxypiperidin-4-yl)propanoate
PubChem CID105442552
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-(3-hydroxypiperidin-4-yl)propanoate
SMILESCOC(=O)CCC1CCNCC1O
InChIInChI=1S/C9H17NO3/c1-13-9(12)3-2-7-4-5-10-6-8(7)11/h7-8,10-11H,2-6H2,1H3
InChIKeyBXGVFPGIXKEEFX-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
methyl 3-(4-hydroxy-1,1-dioxothiolan-3-yl)propanoate
CID 105479136
4-aminopiperidin-3-ol
CID 54373786
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
CID 165441012
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxypiperidin-4-yl)propanoate?
The IUPAC name of methyl 3-(3-hydroxypiperidin-4-yl)propanoate (CID 105442552) is methyl 3-(3-hydroxypiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxypiperidin-4-yl)propanoate?
The canonical SMILES for methyl 3-(3-hydroxypiperidin-4-yl)propanoate is COC(=O)CCC1CCNCC1O.
What is the InChIKey of methyl 3-(3-hydroxypiperidin-4-yl)propanoate?
The InChIKey is BXGVFPGIXKEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-9(12)3-2-7-4-5-10-6-8(7)11/h7-8,10-11H,2-6H2,1H3.
What are the key properties of methyl 3-(3-hydroxypiperidin-4-yl)propanoate?
methyl 3-(3-hydroxypiperidin-4-yl)propanoate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxypiperidin-4-yl)propanoate is sourced from PubChem (CID 105442552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).