(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

C7H11N3O2 — CID 134172897

IUPAC(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)[C@H]1CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O2/c8-6(11)5-2-1-4-3-10(5)7(12)9-4/h4-5H,1-3H2,(H2,8,11)(H,9,12)/t4?,5-/m1/s1
InChIKeyAOERXOCCTLXMMH-BRJRFNKRSA-N
MW169.18 g/mol
LogP-0.97
Rot. Bonds1

About (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 134172897) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
PubChem CID134172897
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)[C@H]1CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O2/c8-6(11)5-2-1-4-3-10(5)7(12)9-4/h4-5H,1-3H2,(H2,8,11)(H,9,12)/t4?,5-/m1/s1
InChIKeyAOERXOCCTLXMMH-BRJRFNKRSA-N
XLogP-0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethoxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 145324239
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 67980023
2-carbamoylazetidine-1-carboxylic acid
CID 66897178
2-[[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy]-2,2-difluoroacetic acid
CID 66921042
(2S,5R)-7-oxo-6-sulfanyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 87319456
N-(2-methylsulfinyl-2-azaspiro[3.3]heptan-6-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 145375426
1-phenylaziridine-2-carboxamide
CID 45084640
2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 153409356
[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] methyl sulfate
CID 147350837
2-[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]ethyl hydrogen sulfate
CID 163202992
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
(2S,5S)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 21058005

Frequently Asked Questions

What is the IUPAC name of (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (CID 134172897) is (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is NC(=O)[C@H]1CCC2CN1C(=O)N2.
What is the InChIKey of (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is AOERXOCCTLXMMH-BRJRFNKRSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6(11)5-2-1-4-3-10(5)7(12)9-4/h4-5H,1-3H2,(H2,8,11)(H,9,12)/t4?,5-/m1/s1.
What are the key properties of (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 134172897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).