(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid

C11H20N2O2 — CID 66757227

IUPAC(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
SMILESCC(C)(C)[C@@]12CN(C(=O)O)CC[C@@H]1CN2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-7-13(9(14)15)5-4-8(11)6-12-11/h8,12H,4-7H2,1-3H3,(H,14,15)/t8-,11-/m1/s1
InChIKeyOKQDHRYKDSJDMN-LDYMZIIASA-N
MW212.29 g/mol
LogP1.37
Rot. Bonds

About (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid

(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid (PubChem CID 66757227) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
PubChem CID66757227
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
SMILESCC(C)(C)[C@@]12CN(C(=O)O)CC[C@@H]1CN2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-7-13(9(14)15)5-4-8(11)6-12-11/h8,12H,4-7H2,1-3H3,(H,14,15)/t8-,11-/m1/s1
InChIKeyOKQDHRYKDSJDMN-LDYMZIIASA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6S)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 155660525
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
CID 91225610
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
CID 174806743
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
CID 174923939
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
(5R)-1-tert-butyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylic acid
CID 69205337
4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 175203164
(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
CID 130362180
(1R,6S)-1-tert-butyl-8-(5,6-dichloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid
CID 87137565
4,7-diazaspiro[2.5]octane-7-carboxylic acid
CID 89157543
4-acetylpiperidine-1-carboxylic acid
CID 22135578

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid?
The IUPAC name of (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid (CID 66757227) is (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid.
What is the SMILES notation for (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid?
The canonical SMILES for (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid is CC(C)(C)[C@@]12CN(C(=O)O)CC[C@@H]1CN2.
What is the InChIKey of (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid?
The InChIKey is OKQDHRYKDSJDMN-LDYMZIIASA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)11-7-13(9(14)15)5-4-8(11)6-12-11/h8,12H,4-7H2,1-3H3,(H,14,15)/t8-,11-/m1/s1.
What are the key properties of (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid?
(1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-tert-butyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylic acid is sourced from PubChem (CID 66757227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).