1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid

C14H26N2O2 — CID 67311652

IUPAC1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
SMILESCC(C)(C)C12CNCC1(C(C)(C)C)N(C(=O)O)C2
InChIInChI=1S/C14H26N2O2/c1-11(2,3)13-7-15-8-14(13,12(4,5)6)16(9-13)10(17)18/h15H,7-9H2,1-6H3,(H,17,18)
InChIKeyRYUKRVGZLMCRPN-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.40
Rot. Bonds

About 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid

1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid (PubChem CID 67311652) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid.

Molecular Properties

Compound Name1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
PubChem CID67311652
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
SMILESCC(C)(C)C12CNCC1(C(C)(C)C)N(C(=O)O)C2
InChIInChI=1S/C14H26N2O2/c1-11(2,3)13-7-15-8-14(13,12(4,5)6)16(9-13)10(17)18/h15H,7-9H2,1-6H3,(H,17,18)
InChIKeyRYUKRVGZLMCRPN-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141
(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
CID 69205337
(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid
CID 175103708
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 66758216
1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 70203947
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172844672
(2S)-2-methylaziridine-1,2-dicarboxylic acid
CID 91246194
aziridine-1,2,2-tricarboxylic acid
CID 150921913
2,2-ditert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 67321518

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The IUPAC name of 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid (CID 67311652) is 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid.
What is the SMILES notation for 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The canonical SMILES for 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid is CC(C)(C)C12CNCC1(C(C)(C)C)N(C(=O)O)C2.
What is the InChIKey of 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The InChIKey is RYUKRVGZLMCRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2,3)13-7-15-8-14(13,12(4,5)6)16(9-13)10(17)18/h15H,7-9H2,1-6H3,(H,17,18).
What are the key properties of 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid is sourced from PubChem (CID 67311652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).