[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C13H13Cl3N2O3 — CID 8569484

IUPAC[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H13Cl3N2O3/c1-6(7-2-3-7)18-9(19)5-21-13(20)12-11(16)10(15)8(14)4-17-12/h4,6-7H,2-3,5H2,1H3,(H,18,19)/t6-/m1/s1
InChIKeyOYTSYYWTJKCHCO-ZCFIWIBFSA-N
MW351.62 g/mol
LogP3.11
Rot. Bonds5

About [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 8569484) has the molecular formula C13H13Cl3N2O3 and a molecular weight of 351.62 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID8569484
Molecular FormulaC13H13Cl3N2O3
Molecular Weight351.62 g/mol
Exact Mass350.00
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H13Cl3N2O3/c1-6(7-2-3-7)18-9(19)5-21-13(20)12-11(16)10(15)8(14)4-17-12/h4,6-7H,2-3,5H2,1H3,(H,18,19)/t6-/m1/s1
InChIKeyOYTSYYWTJKCHCO-ZCFIWIBFSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 8569441
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484985
[2-(ethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4539118
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351701
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7519397
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286430
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 8849351
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 8849352
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7649089
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887489

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 8569484) is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is C[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)C1CC1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is OYTSYYWTJKCHCO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H13Cl3N2O3/c1-6(7-2-3-7)18-9(19)5-21-13(20)12-11(16)10(15)8(14)4-17-12/h4,6-7H,2-3,5H2,1H3,(H,18,19)/t6-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 351.62 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 8569484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).