4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid

C10H13BrN4O3 — CID 87370877

IUPAC4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESNc1ncc(Br)nc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13BrN4O3/c11-7-5-13-8(12)9(14-7)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17)
InChIKeyYGTUIIAHLFTJSM-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.34
Rot. Bonds2

About 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid

4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid (PubChem CID 87370877) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
PubChem CID87370877
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESNc1ncc(Br)nc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13BrN4O3/c11-7-5-13-8(12)9(14-7)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17)
InChIKeyYGTUIIAHLFTJSM-UHFFFAOYSA-N
XLogP1.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid (CID 87370877) is 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid is Nc1ncc(Br)nc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is YGTUIIAHLFTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O3/c11-7-5-13-8(12)9(14-7)18-6-1-3-15(4-2-6)10(16)17/h5-6H,1-4H2,(H2,12,13)(H,16,17).
What are the key properties of 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid?
4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87370877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).