(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C12H22N2O4 — CID 175772133

IUPAC(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESC[C@@H]1CN[C@@](C)(C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-8-6-13-12(5,9(15)16)7-14(8)10(17)18-11(2,3)4/h8,13H,6-7H2,1-5H3,(H,15,16)/t8-,12-/m1/s1
InChIKeyASHYVRRQBTWGBS-PRHODGIISA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds1

About (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 175772133) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID175772133
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESC[C@@H]1CN[C@@](C)(C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-8-6-13-12(5,9(15)16)7-14(8)10(17)18-11(2,3)4/h8,13H,6-7H2,1-5H3,(H,15,16)/t8-,12-/m1/s1
InChIKeyASHYVRRQBTWGBS-PRHODGIISA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid with MolForge

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Related Compounds

2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 118856116
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
1-O-tert-butyl 3-O-methyl (3R,6S)-3,6-dimethylpiperidine-1,3-dicarboxylate
CID 91375400
(2S,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 154574539
tert-butyl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate;formic acid
CID 145420609
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(3S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 69045674
tert-butyl (2R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 175579571
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 155943304
tert-butyl (2R,5R)-5-cyano-2-methylpiperazine-1-carboxylate
CID 172908127
tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 175772133) is (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is C[C@@H]1CN[C@@](C)(C(=O)O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is ASHYVRRQBTWGBS-PRHODGIISA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-6-13-12(5,9(15)16)7-14(8)10(17)18-11(2,3)4/h8,13H,6-7H2,1-5H3,(H,15,16)/t8-,12-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 175772133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).