ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate

C11H19NO4 — CID 107214957

IUPACethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)6-5-10(14)12-7-3-4-9(13)8-12/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyOMNGPZSAVLDMDU-VIFPVBQESA-N
MW229.28 g/mol
LogP0.31
Rot. Bonds4

About ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate

ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate (PubChem CID 107214957) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
PubChem CID107214957
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)6-5-10(14)12-7-3-4-9(13)8-12/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyOMNGPZSAVLDMDU-VIFPVBQESA-N
XLogP0.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
ethyl 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoate
CID 81196697
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate (CID 107214957) is ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate?
The InChIKey is OMNGPZSAVLDMDU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-11(15)6-5-10(14)12-7-3-4-9(13)8-12/h9,13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate?
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate has a molecular weight of 229.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 107214957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).