1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid

C10H13N3O2 — CID 96927169

IUPAC1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid
SMILESC[C@H](c1cnccn1)N1CC(C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-7(9-4-11-2-3-12-9)13-5-8(6-13)10(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyITYBWKXHOKWNIY-SSDOTTSWSA-N
MW207.23 g/mol
LogP0.55
Rot. Bonds3

About 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid

1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid (PubChem CID 96927169) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid
PubChem CID96927169
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid
SMILESC[C@H](c1cnccn1)N1CC(C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-7(9-4-11-2-3-12-9)13-5-8(6-13)10(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyITYBWKXHOKWNIY-SSDOTTSWSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid (CID 96927169) is 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid is C[C@H](c1cnccn1)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid?
The InChIKey is ITYBWKXHOKWNIY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(9-4-11-2-3-12-9)13-5-8(6-13)10(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid?
1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-pyrazin-2-ylethyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 96927169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).