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

C18H21N3O4 — CID 91236290

IUPACmethyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(N[C@H](CO)COCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O4/c1-24-18(23)8-7-15-9-20-17(10-19-15)21-16(11-22)13-25-12-14-5-3-2-4-6-14/h2-10,16,22H,11-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyBDBGOWYVNWUKLS-MRXNPFEDSA-N
MW343.38 g/mol
LogP1.65
Rot. Bonds9

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

methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (PubChem CID 91236290) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
PubChem CID91236290
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(N[C@H](CO)COCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O4/c1-24-18(23)8-7-15-9-20-17(10-19-15)21-16(11-22)13-25-12-14-5-3-2-4-6-14/h2-10,16,22H,11-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyBDBGOWYVNWUKLS-MRXNPFEDSA-N
XLogP1.65
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate with MolForge

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Related Compounds

methyl (E)-3-[5-[[(2R)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242198
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CID 59242342
methyl (E)-3-[5-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242422
methyl (E)-3-[5-[[(2R)-1-anilino-1-oxopropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242357
methyl (E)-3-[5-[2-(2-chlorophenoxy)ethylamino]pyrazin-2-yl]prop-2-enoate
CID 59242298
methyl 3-[5-[[(2R)-1-[cyclohexyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
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methyl 3-[5-[[(3R)-1-(3-phenylpropyl)piperidin-3-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 67129348
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
methyl (E)-3-[5-[[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242473
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106190134
methyl (E,4S,5R,6R)-4,6-dihydroxy-5,7-bis(phenylmethoxy)hept-2-enoate
CID 11417789
methyl (E)-3-[5-[2-[bis[(4-fluorophenyl)methyl]amino]ethylamino]pyrazin-2-yl]prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The IUPAC name of methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate (CID 91236290) is methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is COC(=O)C=Cc1cnc(N[C@H](CO)COCc2ccccc2)cn1.
What is the InChIKey of methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
The InChIKey is BDBGOWYVNWUKLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-18(23)8-7-15-9-20-17(10-19-15)21-16(11-22)13-25-12-14-5-3-2-4-6-14/h2-10,16,22H,11-13H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate?
methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate has a molecular weight of 343.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]amino]pyrazin-2-yl]prop-2-enoate is sourced from PubChem (CID 91236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).