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

C12H19N3O5 — CID 62312465

IUPAC2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H19N3O5/c1-9(11(17)18)14-4-2-13(3-5-14)8-10(16)15-6-7-20-12(15)19/h9H,2-8H2,1H3,(H,17,18)
InChIKeyUSTVWNFNWUYRJE-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.94
Rot. Bonds4

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

2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid (PubChem CID 62312465) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
PubChem CID62312465
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(=O)N2CCOC2=O)CC1
InChIInChI=1S/C12H19N3O5/c1-9(11(17)18)14-4-2-13(3-5-14)8-10(16)15-6-7-20-12(15)19/h9H,2-8H2,1H3,(H,17,18)
InChIKeyUSTVWNFNWUYRJE-UHFFFAOYSA-N
XLogP-0.94
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid with MolForge

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
CID 107773641
1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62059319
3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 8804709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid (CID 62312465) is 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CC(=O)N2CCOC2=O)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid?
The InChIKey is USTVWNFNWUYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-9(11(17)18)14-4-2-13(3-5-14)8-10(16)15-6-7-20-12(15)19/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid?
2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid has a molecular weight of 285.30 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).