methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate

C19H30N2O6 — CID 10738675

IUPACmethyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)C1=C(C)N([C@H](C(=O)OC)C(C)C)C(=O)CC1)C(C)C
InChIInChI=1S/C19H30N2O6/c1-10(2)15(18(24)26-6)20-17(23)13-8-9-14(22)21(12(13)5)16(11(3)4)19(25)27-7/h10-11,15-16H,8-9H2,1-7H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyYLVLLZQNEGQTSW-HOTGVXAUSA-N
MW382.46 g/mol
LogP1.39
Rot. Bonds7

About methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate

methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate (PubChem CID 10738675) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate
PubChem CID10738675
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Namemethyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)C1=C(C)N([C@H](C(=O)OC)C(C)C)C(=O)CC1)C(C)C
InChIInChI=1S/C19H30N2O6/c1-10(2)15(18(24)26-6)20-17(23)13-8-9-14(22)21(12(13)5)16(11(3)4)19(25)27-7/h10-11,15-16H,8-9H2,1-7H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyYLVLLZQNEGQTSW-HOTGVXAUSA-N
XLogP1.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate (CID 10738675) is methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate is COC(=O)[C@@H](NC(=O)C1=C(C)N([C@H](C(=O)OC)C(C)C)C(=O)CC1)C(C)C.
What is the InChIKey of methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate?
The InChIKey is YLVLLZQNEGQTSW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H30N2O6/c1-10(2)15(18(24)26-6)20-17(23)13-8-9-14(22)21(12(13)5)16(11(3)4)19(25)27-7/h10-11,15-16H,8-9H2,1-7H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate?
methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate has a molecular weight of 382.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 10738675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).