(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid

C11H22N2O2 — CID 66936309

IUPAC(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid
SMILESC[C@H]1C(C(C)(C)C)N(C(=O)O)CCN1C
InChIInChI=1S/C11H22N2O2/c1-8-9(11(2,3)4)13(10(14)15)7-6-12(8)5/h8-9H,6-7H2,1-5H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyCJKSFYCMYJNHFR-IENPIDJESA-N
MW214.31 g/mol
LogP1.72
Rot. Bonds

About (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid

(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid (PubChem CID 66936309) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid
PubChem CID66936309
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid
SMILESC[C@H]1C(C(C)(C)C)N(C(=O)O)CCN1C
InChIInChI=1S/C11H22N2O2/c1-8-9(11(2,3)4)13(10(14)15)7-6-12(8)5/h8-9H,6-7H2,1-5H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyCJKSFYCMYJNHFR-IENPIDJESA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 66906808
2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid
CID 174237970
(3S,4S)-2-tert-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylic acid
CID 118167751
2-tert-butyl-3-formylpyrrolidine-1-carboxylic acid
CID 87167744
2-tert-butyl-4-(3-methoxyphenyl)-3-methylpiperazine-1-carboxylic acid
CID 71008540
(2S)-2-tert-butyl-4-(3-methoxyphenyl)-3-methylpiperazine-1-carboxylic acid
CID 71008911
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid
CID 67650436
(3R,4R)-4-[(1S)-1-aminoethyl]-2-tert-butyl-3-methylpiperidine-1-carboxylic acid
CID 166745497
2-tert-butyl-3-iodoazetidine-1-carboxylic acid
CID 68657864
(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid
CID 146361727
(2S)-2-tert-butyl-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 176886938

Frequently Asked Questions

What is the IUPAC name of (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid (CID 66936309) is (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid is C[C@H]1C(C(C)(C)C)N(C(=O)O)CCN1C.
What is the InChIKey of (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid?
The InChIKey is CJKSFYCMYJNHFR-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-9(11(2,3)4)13(10(14)15)7-6-12(8)5/h8-9H,6-7H2,1-5H3,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid?
(3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-tert-butyl-3,4-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 66936309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).