(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid

C13H26N2O2 — CID 66936266

IUPAC(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid
SMILESCC(C)[C@]1(C(C)(C)C)CN(C)CCN1C(=O)O
InChIInChI=1S/C13H26N2O2/c1-10(2)13(12(3,4)5)9-14(6)7-8-15(13)11(16)17/h10H,7-9H2,1-6H3,(H,16,17)/t13-/m0/s1
InChIKeyFYKSTMVJQGNIJY-ZDUSSCGKSA-N
MW242.36 g/mol
LogP2.35
Rot. Bonds1

About (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid

(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid (PubChem CID 66936266) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid
PubChem CID66936266
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid
SMILESCC(C)[C@]1(C(C)(C)C)CN(C)CCN1C(=O)O
InChIInChI=1S/C13H26N2O2/c1-10(2)13(12(3,4)5)9-14(6)7-8-15(13)11(16)17/h10H,7-9H2,1-6H3,(H,16,17)/t13-/m0/s1
InChIKeyFYKSTMVJQGNIJY-ZDUSSCGKSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid (CID 66936266) is (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid is CC(C)[C@]1(C(C)(C)C)CN(C)CCN1C(=O)O.
What is the InChIKey of (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid?
The InChIKey is FYKSTMVJQGNIJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)13(12(3,4)5)9-14(6)7-8-15(13)11(16)17/h10H,7-9H2,1-6H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid?
(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 66936266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).