2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

C7H11N3O3 — CID 153409356

IUPAC2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)C1(O)CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyAIXLPVBEHYRJMX-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.65
Rot. Bonds1

About 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 153409356) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
PubChem CID153409356
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
SMILESNC(=O)C1(O)CCC2CN1C(=O)N2
InChIInChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyAIXLPVBEHYRJMX-UHFFFAOYSA-N
XLogP-1.65
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 134172897
(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173085289
1,2-dihydroxypyrrolidine-2-carboxamide
CID 140539676
tert-butyl N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]carbamate
CID 10614962
N-(2-aminoethoxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 145324239
4-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]piperidine-1,4-dicarboxylic acid
CID 174174449
1-(2,6-dioxopiperidin-3-yl)cyclobutane-1-carboxamide
CID 176899722
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608
2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
(6S,8aR)-6-amino-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylic acid
CID 45089457

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (CID 153409356) is 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is NC(=O)C1(O)CCC2CN1C(=O)N2.
What is the InChIKey of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is AIXLPVBEHYRJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-5(11)7(13)2-1-4-3-10(7)6(12)9-4/h4,13H,1-3H2,(H2,8,11)(H,9,12).
What are the key properties of 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide?
2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 153409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).