(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

C11H11BrN4O3 — CID 126618396

IUPAC(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1C(=O)O
InChIInChI=1S/C11H11BrN4O3/c12-8-3-13-4-9(14-8)15-10(17)7-2-5-1-6(5)16(7)11(18)19/h3-7H,1-2H2,(H,18,19)(H,14,15,17)/t5-,6-,7+/m1/s1
InChIKeyAACZMAHANAIWDZ-QYNIQEEDSA-N
MW327.14 g/mol
LogP1.32
Rot. Bonds2

About (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 126618396) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID126618396
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1C(=O)O
InChIInChI=1S/C11H11BrN4O3/c12-8-3-13-4-9(14-8)15-10(17)7-2-5-1-6(5)16(7)11(18)19/h3-7H,1-2H2,(H,18,19)(H,14,15,17)/t5-,6-,7+/m1/s1
InChIKeyAACZMAHANAIWDZ-QYNIQEEDSA-N
XLogP1.32
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-bromo-4-methoxy-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 166772339
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720548
(1R,3S,5R)-2-N-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)-3-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
CID 171400023
(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020380
(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126622509
(1R,2S,5S)-N-(6-bromopyrazin-2-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167316680
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methoxypyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126643070
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-cyclopropylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126642910
(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide
CID 175857422
(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126654072
1-[2-[(1R,3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 140679256
N-(6-bromopyrazin-2-yl)-2-chloroacetamide
CID 130299627

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 126618396) is (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(Nc1cncc(Br)n1)[C@@H]1C[C@H]2C[C@H]2N1C(=O)O.
What is the InChIKey of (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is AACZMAHANAIWDZ-QYNIQEEDSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c12-8-3-13-4-9(14-8)15-10(17)7-2-5-1-6(5)16(7)11(18)19/h3-7H,1-2H2,(H,18,19)(H,14,15,17)/t5-,6-,7+/m1/s1.
What are the key properties of (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 327.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-3-[(6-bromopyrazin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 126618396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).