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

C12H21N3O4 — CID 19071177

IUPACmethyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C12H21N3O4/c1-18-11(16)2-3-14-4-6-15(7-5-14)9-10-8-13-12(17)19-10/h10H,2-9H2,1H3,(H,13,17)
InChIKeyUMKXFMRUDWKSGY-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.72
Rot. Bonds5

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

methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate (PubChem CID 19071177) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
PubChem CID19071177
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Namemethyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C12H21N3O4/c1-18-11(16)2-3-14-4-6-15(7-5-14)9-10-8-13-12(17)19-10/h10H,2-9H2,1H3,(H,13,17)
InChIKeyUMKXFMRUDWKSGY-UHFFFAOYSA-N
XLogP-0.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate (CID 19071177) is methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC2CNC(=O)O2)CC1.
What is the InChIKey of methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The InChIKey is UMKXFMRUDWKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-18-11(16)2-3-14-4-6-15(7-5-14)9-10-8-13-12(17)19-10/h10H,2-9H2,1H3,(H,13,17).
What are the key properties of methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate has a molecular weight of 271.32 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 19071177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).