[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

C14H15N3O4 — CID 7760510

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccco2)cn1
InChIInChI=1S/C14H15N3O4/c1-9-6-16-12(8-15-9)14(19)21-10(2)13(18)17-7-11-4-3-5-20-11/h3-6,8,10H,7H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyLVTWQHZLFITYLT-SNVBAGLBSA-N
MW289.29 g/mol
LogP1.24
Rot. Bonds5

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 7760510) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID7760510
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccco2)cn1
InChIInChI=1S/C14H15N3O4/c1-9-6-16-12(8-15-9)14(19)21-10(2)13(18)17-7-11-4-3-5-20-11/h3-6,8,10H,7H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyLVTWQHZLFITYLT-SNVBAGLBSA-N
XLogP1.24
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950036
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021648
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197247
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 7758226
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (CID 7760510) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)O[C@H](C)C(=O)NCc2ccco2)cn1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is LVTWQHZLFITYLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-6-16-12(8-15-9)14(19)21-10(2)13(18)17-7-11-4-3-5-20-11/h3-6,8,10H,7H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7760510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).