2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

C12H17N3O2 — CID 65416448

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnc(C)c(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-13-8(2)11(14-7)15-10-5-3-4-9(10)12(16)17/h6,9-10H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBZJMNNXSGBOYGR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.76
Rot. Bonds3

About 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid

2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 65416448) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID65416448
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnc(C)c(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-7-6-13-8(2)11(14-7)15-10-5-3-4-9(10)12(16)17/h6,9-10H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBZJMNNXSGBOYGR-UHFFFAOYSA-N
XLogP1.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 66238504
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817622
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
CID 65029238
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 64817049
2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817039
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 65416448) is 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is Cc1cnc(C)c(NC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BZJMNNXSGBOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-6-13-8(2)11(14-7)15-10-5-3-4-9(10)12(16)17/h6,9-10H,3-5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid?
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65416448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).