1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid

C11H15N3O2 — CID 82763215

IUPAC1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1cnccn1
InChIInChI=1S/C11H15N3O2/c1-11(10(15)16)4-2-3-8(11)14-9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyBKJYUGKAFDPDRX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.53
Rot. Bonds3

About 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 82763215) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID82763215
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1cnccn1
InChIInChI=1S/C11H15N3O2/c1-11(10(15)16)4-2-3-8(11)14-9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyBKJYUGKAFDPDRX-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid (CID 82763215) is 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1Nc1cnccn1.
What is the InChIKey of 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BKJYUGKAFDPDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(10(15)16)4-2-3-8(11)14-9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyrazin-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).