(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid

C11H14ClN3O2 — CID 97169176

IUPAC(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1Cc1nccnc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-10-8(13-4-5-14-10)7-15-6-2-1-3-9(15)11(16)17/h4-5,9H,1-3,6-7H2,(H,16,17)/t9-/m1/s1
InChIKeyJTWNDMRSOISSPZ-SECBINFHSA-N
MW255.70 g/mol
LogP1.57
Rot. Bonds3

About (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid

(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 97169176) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID97169176
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1Cc1nccnc1Cl
InChIInChI=1S/C11H14ClN3O2/c12-10-8(13-4-5-14-10)7-15-6-2-1-3-9(15)11(16)17/h4-5,9H,1-3,6-7H2,(H,16,17)/t9-/m1/s1
InChIKeyJTWNDMRSOISSPZ-SECBINFHSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid (CID 97169176) is (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1Cc1nccnc1Cl.
What is the InChIKey of (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is JTWNDMRSOISSPZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-8(13-4-5-14-10)7-15-6-2-1-3-9(15)11(16)17/h4-5,9H,1-3,6-7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 97169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).