azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid

C12H21N3O2 — CID 173370467

IUPACazane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid
SMILESCCC(C)C(C(=O)O)C(C)c1cnccn1.N
InChIInChI=1S/C12H18N2O2.H3N/c1-4-8(2)11(12(15)16)9(3)10-7-13-5-6-14-10;/h5-9,11H,4H2,1-3H3,(H,15,16);1H3
InChIKeyQMVPLDVRIKBOIP-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.49
Rot. Bonds5

About azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid

azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid (PubChem CID 173370467) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid.

Molecular Properties

Compound Nameazane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid
PubChem CID173370467
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameazane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid
SMILESCCC(C)C(C(=O)O)C(C)c1cnccn1.N
InChIInChI=1S/C12H18N2O2.H3N/c1-4-8(2)11(12(15)16)9(3)10-7-13-5-6-14-10;/h5-9,11H,4H2,1-3H3,(H,15,16);1H3
InChIKeyQMVPLDVRIKBOIP-UHFFFAOYSA-N
XLogP2.49
TPSA98.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid?
The IUPAC name of azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid (CID 173370467) is azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid.
What is the SMILES notation for azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid?
The canonical SMILES for azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid is CCC(C)C(C(=O)O)C(C)c1cnccn1.N.
What is the InChIKey of azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid?
The InChIKey is QMVPLDVRIKBOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.H3N/c1-4-8(2)11(12(15)16)9(3)10-7-13-5-6-14-10;/h5-9,11H,4H2,1-3H3,(H,15,16);1H3.
What are the key properties of azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid?
azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid has a molecular weight of 239.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid is sourced from PubChem (CID 173370467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).