3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular Identity
3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID: 45101433
2D Structure
Properties
C13H20N2O4
Molecular Formula
268.31
Molecular Weight
g/mol
268.1423
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
70.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
392
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3Isomeric SMILES
SMILES: CN1CCN(CC1)C(=O)C2[C@@H]3CC[C@H](C2C(=O)O)O3Synonyms(20)
1632032-53-1LB-100LB 100EMPM0C1JUU9S0L7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-DTXSID2011321637-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-((4-methyl-1-piperazinyl)carbonyl)-, (1R,4S)-rel-3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid3-[(4-Methylpiperazin-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acidRefChem:152591DTXCID501563640LB100(1R,4S)-3-(4-Methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acidUNII-0C1JUU9S0L
Data from PubChem (NCBI)
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Molecular Structure
3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
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Drug Network
Trials and conditions connected to 3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
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