(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C15H26N2O6 — CID 155859069

IUPAC(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)N1
InChIInChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)10-8-17(7-9(16-10)11(18)19)13(21)23-15(4,5)6/h9-10,16H,7-8H2,1-6H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyXWIBOMZNDYCYCE-ZJUUUORDSA-N
MW330.38 g/mol
LogP0.99
Rot. Bonds2

About (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 155859069) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID155859069
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)N1
InChIInChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)10-8-17(7-9(16-10)11(18)19)13(21)23-15(4,5)6/h9-10,16H,7-8H2,1-6H3,(H,18,19)/t9-,10+/m1/s1
InChIKeyXWIBOMZNDYCYCE-ZJUUUORDSA-N
XLogP0.99
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 90725204
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
tert-butyl (5S)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167310373
tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 168903998
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
4,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilepane-2-carboxylic acid
CID 10755741
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 58520870
tert-butyl 7-methyl-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylate
CID 53415348
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 155859069) is (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)N1.
What is the InChIKey of (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is XWIBOMZNDYCYCE-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)10-8-17(7-9(16-10)11(18)19)13(21)23-15(4,5)6/h9-10,16H,7-8H2,1-6H3,(H,18,19)/t9-,10+/m1/s1.
What are the key properties of (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 155859069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).