(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid

C10H18N2O2 — CID 69205337

IUPAC(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
SMILESCC(C)(C)C12CNC[C@@H]1N(C(=O)O)C2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)10-5-11-4-7(10)12(6-10)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-,10?/m0/s1
InChIKeyHXNWJZRXSLTGFK-BYDSUWOYSA-N
MW198.27 g/mol
LogP0.98
Rot. Bonds

About (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid

(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid (PubChem CID 69205337) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid.

Molecular Properties

Compound Name(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
PubChem CID69205337
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
SMILESCC(C)(C)C12CNC[C@@H]1N(C(=O)O)C2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)10-5-11-4-7(10)12(6-10)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-,10?/m0/s1
InChIKeyHXNWJZRXSLTGFK-BYDSUWOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3aR)-3a-(trifluoromethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134715872
(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 66757227
(1S,6S)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 155660525
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-tert-butyl-1,4-diazepane-1-carboxylic acid
CID 54024721
bis((1R,5S)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid);2-methylpropan-2-amine
CID 172811806
1,5-ditert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
CID 67311652
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317

Frequently Asked Questions

What is the IUPAC name of (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The IUPAC name of (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid (CID 69205337) is (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid.
What is the SMILES notation for (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The canonical SMILES for (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid is CC(C)(C)C12CNC[C@@H]1N(C(=O)O)C2.
What is the InChIKey of (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
The InChIKey is HXNWJZRXSLTGFK-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2,3)10-5-11-4-7(10)12(6-10)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-,10?/m0/s1.
What are the key properties of (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid?
(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid is sourced from PubChem (CID 69205337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).