methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate

C11H16N4O2 — CID 59242256

IUPACmethyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(N[C@H](C)CN)cn1
InChIInChI=1S/C11H16N4O2/c1-8(5-12)15-10-7-13-9(6-14-10)3-4-11(16)17-2/h3-4,6-8H,5,12H2,1-2H3,(H,14,15)/b4-3+/t8-/m1/s1
InChIKeyWXPDEXXOCBOWCM-MPJRPATESA-N
MW236.28 g/mol
LogP0.42
Rot. Bonds5

About methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate

methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (PubChem CID 59242256) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
PubChem CID59242256
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Namemethyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cnc(N[C@H](C)CN)cn1
InChIInChI=1S/C11H16N4O2/c1-8(5-12)15-10-7-13-9(6-14-10)3-4-11(16)17-2/h3-4,6-8H,5,12H2,1-2H3,(H,14,15)/b4-3+/t8-/m1/s1
InChIKeyWXPDEXXOCBOWCM-MPJRPATESA-N
XLogP0.42
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (CID 59242256) is methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is COC(=O)/C=C/c1cnc(N[C@H](C)CN)cn1.
What is the InChIKey of methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The InChIKey is WXPDEXXOCBOWCM-MPJRPATESA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(5-12)15-10-7-13-9(6-14-10)3-4-11(16)17-2/h3-4,6-8H,5,12H2,1-2H3,(H,14,15)/b4-3+/t8-/m1/s1.
What are the key properties of methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate has a molecular weight of 236.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[5-[[(2R)-1-aminopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is sourced from PubChem (CID 59242256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).