2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid

C11H15N3O2 — CID 114474311

IUPAC2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
SMILESCc1ncc(N(CC(=O)O)C2CC2)nc1C
InChIInChI=1S/C11H15N3O2/c1-7-8(2)13-10(5-12-7)14(6-11(15)16)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyMALTXFCCQFZTOK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.15
Rot. Bonds4

About 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid

2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid (PubChem CID 114474311) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
PubChem CID114474311
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
SMILESCc1ncc(N(CC(=O)O)C2CC2)nc1C
InChIInChI=1S/C11H15N3O2/c1-7-8(2)13-10(5-12-7)14(6-11(15)16)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyMALTXFCCQFZTOK-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
CID 83837701
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
CID 114474558
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
2-[cyclopropyl-(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83841041
3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
CID 114474321
2-[cyclopropyl-(6-methylsulfanylpyrimidin-4-yl)amino]acetic acid
CID 106972190
N'-cyclohexyl-N'-(5,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 114477609
2-[cyclopentyl(pyrazin-2-yl)amino]acetic acid
CID 60838829
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid (CID 114474311) is 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid is Cc1ncc(N(CC(=O)O)C2CC2)nc1C.
What is the InChIKey of 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid?
The InChIKey is MALTXFCCQFZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(2)13-10(5-12-7)14(6-11(15)16)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid?
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 114474311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).