(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid

C10H14N4O2 — CID 97176850

IUPAC(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
SMILESCc1nccnc1N1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C10H14N4O2/c1-7-9(13-3-2-11-7)14-5-4-12-8(6-14)10(15)16/h2-3,8,12H,4-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyUVFVPOGTWMBFTD-MRVPVSSYSA-N
MW222.25 g/mol
LogP-0.35
Rot. Bonds2

About (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid

(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid (PubChem CID 97176850) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
PubChem CID97176850
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
SMILESCc1nccnc1N1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C10H14N4O2/c1-7-9(13-3-2-11-7)14-5-4-12-8(6-14)10(15)16/h2-3,8,12H,4-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyUVFVPOGTWMBFTD-MRVPVSSYSA-N
XLogP-0.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid (CID 97176850) is (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid is Cc1nccnc1N1CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is UVFVPOGTWMBFTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-9(13-3-2-11-7)14-5-4-12-8(6-14)10(15)16/h2-3,8,12H,4-6H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid?
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97176850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).