methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate

C11H18N2O4 — CID 59948099

IUPACmethyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C11H18N2O4/c1-8(14)7-13-6-5-12-9(11(13)16)3-4-10(15)17-2/h9,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyCWJAGUATVPTGOQ-SECBINFHSA-N
MW242.27 g/mol
LogP-0.67
Rot. Bonds5

About methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate

methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate (PubChem CID 59948099) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate
PubChem CID59948099
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C11H18N2O4/c1-8(14)7-13-6-5-12-9(11(13)16)3-4-10(15)17-2/h9,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyCWJAGUATVPTGOQ-SECBINFHSA-N
XLogP-0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate (CID 59948099) is methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate is COC(=O)CC[C@H]1NCCN(CC(C)=O)C1=O.
What is the InChIKey of methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate?
The InChIKey is CWJAGUATVPTGOQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(14)7-13-6-5-12-9(11(13)16)3-4-10(15)17-2/h9,12H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate?
methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate has a molecular weight of 242.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate is sourced from PubChem (CID 59948099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).