[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate

C14H17NO4 — CID 94203015

IUPAC[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)O[C@H]1CCNC(=O)[C@H]1O
InChIInChI=1S/C14H17NO4/c16-12(7-6-10-4-2-1-3-5-10)19-11-8-9-15-14(18)13(11)17/h1-5,11,13,17H,6-9H2,(H,15,18)/t11-,13-/m0/s1
InChIKeyFDMZQCZOGPBMQG-AAEUAGOBSA-N
MW263.29 g/mol
LogP0.41
Rot. Bonds4

About [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate

[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate (PubChem CID 94203015) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate
PubChem CID94203015
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)O[C@H]1CCNC(=O)[C@H]1O
InChIInChI=1S/C14H17NO4/c16-12(7-6-10-4-2-1-3-5-10)19-11-8-9-15-14(18)13(11)17/h1-5,11,13,17H,6-9H2,(H,15,18)/t11-,13-/m0/s1
InChIKeyFDMZQCZOGPBMQG-AAEUAGOBSA-N
XLogP0.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134843861
(4-hydroxycyclohexyl) 3-phenylpropanoate
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[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl] 3-phenylpropanoate
CID 51417806
[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl] 3-phenylpropanoate
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[2,5-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-yl] 3-phenylpropanoate
CID 24843006
2-aminoacetic acid;(2-methylcyclopropyl) 3-pyridin-3-ylpropanoate
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N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
oxan-2-yl 3-phenylpropanoate
CID 10609743
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
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CID 23159480

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate?
The IUPAC name of [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate (CID 94203015) is [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate.
What is the SMILES notation for [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate?
The canonical SMILES for [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate is O=C(CCc1ccccc1)O[C@H]1CCNC(=O)[C@H]1O.
What is the InChIKey of [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate?
The InChIKey is FDMZQCZOGPBMQG-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(7-6-10-4-2-1-3-5-10)19-11-8-9-15-14(18)13(11)17/h1-5,11,13,17H,6-9H2,(H,15,18)/t11-,13-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate?
[(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate has a molecular weight of 263.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-2-oxopiperidin-4-yl] 3-phenylpropanoate is sourced from PubChem (CID 94203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).