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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Related Compounds

[6-methyl-4-(1-pyrazin-2-ylethyl)morpholin-2-yl]methanol
CID 136535011
(3R)-1-[(1R)-1-pyrazin-2-ylethyl]pyrrolidin-3-amine
CID 97162216
3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
CID 81458622
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 98085597
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522
2-(1-pyrazin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067036
1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-yl]carbamate
CID 86329864
[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
CID 124762062
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128

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).