methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate

C11H17N3O2 — CID 62005507

IUPACmethyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate
SMILESCCCC(C)(Nc1cnccn1)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-4-5-11(2,10(15)16-3)14-9-8-12-6-7-13-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyQFCXNGJBTXVSAR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate

methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate (PubChem CID 62005507) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate
PubChem CID62005507
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate
SMILESCCCC(C)(Nc1cnccn1)C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-4-5-11(2,10(15)16-3)14-9-8-12-6-7-13-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyQFCXNGJBTXVSAR-UHFFFAOYSA-N
XLogP1.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate (CID 62005507) is methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate is CCCC(C)(Nc1cnccn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate?
The InChIKey is QFCXNGJBTXVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-11(2,10(15)16-3)14-9-8-12-6-7-13-9/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate?
methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate has a molecular weight of 223.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(pyrazin-2-ylamino)pentanoate is sourced from PubChem (CID 62005507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).