4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid

C12H21N3O4 — CID 66235609

IUPAC4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CN1CCNCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-14(10-8-19-7-9(10)12(17)18)11(16)6-15-4-2-13-3-5-15/h9-10,13H,2-8H2,1H3,(H,17,18)
InChIKeyZFHRDWFDYJTHBA-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.55
Rot. Bonds4

About 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid

4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235609) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66235609
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CN1CCNCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-14(10-8-19-7-9(10)12(17)18)11(16)6-15-4-2-13-3-5-15/h9-10,13H,2-8H2,1H3,(H,17,18)
InChIKeyZFHRDWFDYJTHBA-UHFFFAOYSA-N
XLogP-1.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-methyl-seryl-d,l-valine
CID 129664692
4-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66237613
4-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66247266
4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
CID 66251697
4-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260671
4-[Methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260757
4-[Ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260847
3-Methyl-4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79261018
4-[Propyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79264613
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]oxolane-3-carboxylic acid
CID 79811821
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79811935
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-ethylamino]oxolane-3-carboxylic acid
CID 79812155

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid (CID 66235609) is 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid is CN(C(=O)CN1CCNCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZFHRDWFDYJTHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(10-8-19-7-9(10)12(17)18)11(16)6-15-4-2-13-3-5-15/h9-10,13H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-piperazin-1-ylacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).