2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate

C19H27N3O6 — CID 8884022

IUPAC2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate
SMILESCCCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCC)n1
InChIInChI=1S/C19H27N3O6/c1-5-10-20-16(23)12(3)27-18(25)14-8-7-9-15(22-14)19(26)28-13(4)17(24)21-11-6-2/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,20,23)(H,21,24)/t12-,13+
InChIKeyMDCFIKXPWYFTQS-BETUJISGSA-N
MW393.44 g/mol
LogP1.22
Rot. Bonds10

About 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate

2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate (PubChem CID 8884022) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate
PubChem CID8884022
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Name2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate
SMILESCCCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCC)n1
InChIInChI=1S/C19H27N3O6/c1-5-10-20-16(23)12(3)27-18(25)14-8-7-9-15(22-14)19(26)28-13(4)17(24)21-11-6-2/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,20,23)(H,21,24)/t12-,13+
InChIKeyMDCFIKXPWYFTQS-BETUJISGSA-N
XLogP1.22
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-O-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-O-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 8884003
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823
[1-oxo-1-(propylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18092071
[1-oxo-1-(propylamino)propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 18091965
[1-oxo-1-(propylamino)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169670
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9064912
[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 43015088
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-3-methylbenzoate
CID 61322206
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958783
bis[(1S)-1-cyanoethyl] pyridine-2,6-dicarboxylate
CID 7979796
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] quinoline-2-carboxylate
CID 7812636

Frequently Asked Questions

What is the IUPAC name of 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate?
The IUPAC name of 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate (CID 8884022) is 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate?
The canonical SMILES for 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate is CCCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCC)n1.
What is the InChIKey of 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate?
The InChIKey is MDCFIKXPWYFTQS-BETUJISGSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-5-10-20-16(23)12(3)27-18(25)14-8-7-9-15(22-14)19(26)28-13(4)17(24)21-11-6-2/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,20,23)(H,21,24)/t12-,13+.
What are the key properties of 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate?
2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate has a molecular weight of 393.44 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 8884022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).