methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate

C15H14ClN3O3 — CID 27700837

IUPACmethyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-14(20)8-12(10-2-4-11(16)5-3-10)19-15(21)13-9-17-6-7-18-13/h2-7,9,12H,8H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKUTKUYRWROSBQI-GFCCVEGCSA-N
MW319.75 g/mol
LogP2.16
Rot. Bonds5

About methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate

methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate (PubChem CID 27700837) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate
PubChem CID27700837
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Namemethyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O3/c1-22-14(20)8-12(10-2-4-11(16)5-3-10)19-15(21)13-9-17-6-7-18-13/h2-7,9,12H,8H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKUTKUYRWROSBQI-GFCCVEGCSA-N
XLogP2.16
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
[(1R)-1-[[3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid
CID 45139395
3-(4-tert-butylphenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 119210009
methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 55633058
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
CID 55437033
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate?
The IUPAC name of methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate (CID 27700837) is methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate?
The canonical SMILES for methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate is COC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate?
The InChIKey is KUTKUYRWROSBQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-14(20)8-12(10-2-4-11(16)5-3-10)19-15(21)13-9-17-6-7-18-13/h2-7,9,12H,8H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate?
methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate has a molecular weight of 319.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate is sourced from PubChem (CID 27700837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).