4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid

C12H21N3O4 — CID 142663238

IUPAC4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C12H21N3O4/c16-11(17)2-1-3-14-4-6-15(7-5-14)9-10-8-13-12(18)19-10/h10H,1-9H2,(H,13,18)(H,16,17)
InChIKeySGBBKYUTDUAJLS-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.42
Rot. Bonds6

About 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid

4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid (PubChem CID 142663238) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid
PubChem CID142663238
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C12H21N3O4/c16-11(17)2-1-3-14-4-6-15(7-5-14)9-10-8-13-12(18)19-10/h10H,1-9H2,(H,13,18)(H,16,17)
InChIKeySGBBKYUTDUAJLS-UHFFFAOYSA-N
XLogP-0.42
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid (CID 142663238) is 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CC2CNC(=O)O2)CC1.
What is the InChIKey of 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid?
The InChIKey is SGBBKYUTDUAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c16-11(17)2-1-3-14-4-6-15(7-5-14)9-10-8-13-12(18)19-10/h10H,1-9H2,(H,13,18)(H,16,17).
What are the key properties of 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid?
4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 142663238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).