(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C15H26N2O6 — CID 26339502

IUPAC(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m1/s1
InChIKeyIIZGWFQKLVCLLA-SNVBAGLBSA-N
MW330.38 g/mol
LogP1.93
Rot. Bonds1

About (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 26339502) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID26339502
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m1/s1
InChIKeyIIZGWFQKLVCLLA-SNVBAGLBSA-N
XLogP1.93
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CID 22458573
(2R)-1-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid
CID 24820285
2-(4-(Tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid
CID 17040175
(S)-4-N-Boc-piperazine-2-carboxylic acid
CID 1501850
2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}acetic acid
CID 2735642
3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735644
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735645
4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid
CID 5175855
1,4-Di-Boc-piperazine-2-carboxylic acid
CID 11255979
1-Boc-piperazine-2-carboxylic acid
CID 22507584
(2S)-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid
CID 40419053
2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-2-methylpropanoic acid
CID 54593523

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 26339502) is (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is IIZGWFQKLVCLLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
(2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 26339502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).