3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid

C13H20N2O5 — CID 62216172

IUPAC3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C13H20N2O5/c16-11(15-7-8-20-13(15)19)9-14-5-3-10(4-6-14)1-2-12(17)18/h10H,1-9H2,(H,17,18)
InChIKeyCHHGUAMQWJJNCH-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.54
Rot. Bonds5

About 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid

3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 62216172) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
PubChem CID62216172
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C13H20N2O5/c16-11(15-7-8-20-13(15)19)9-14-5-3-10(4-6-14)1-2-12(17)18/h10H,1-9H2,(H,17,18)
InChIKeyCHHGUAMQWJJNCH-UHFFFAOYSA-N
XLogP0.54
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918754
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]acetic acid
CID 43466082
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103577185
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
CID 65214064
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103358031
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-(2-oxooxan-4-yl)propanoic acid
CID 177019128
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid (CID 62216172) is 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CC(=O)N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is CHHGUAMQWJJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-11(15-7-8-20-13(15)19)9-14-5-3-10(4-6-14)1-2-12(17)18/h10H,1-9H2,(H,17,18).
What are the key properties of 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).