methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate

C18H29NO6 — CID 11233569

IUPACmethyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2CC(C)C)O1
InChIInChI=1S/C18H29NO6/c1-11(2)7-12-10-23-17(21)19(12)15-9-13(25-18(3,4)5)8-14(24-15)16(20)22-6/h8,11-13,15H,7,9-10H2,1-6H3/t12-,13+,15-/m0/s1
InChIKeyUHMWZVYUZSYEEZ-GUTXKFCHSA-N
MW355.43 g/mol
LogP2.84
Rot. Bonds5

About methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 11233569) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID11233569
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Namemethyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2CC(C)C)O1
InChIInChI=1S/C18H29NO6/c1-11(2)7-12-10-23-17(21)19(12)15-9-13(25-18(3,4)5)8-14(24-15)16(20)22-6/h8,11-13,15H,7,9-10H2,1-6H3/t12-,13+,15-/m0/s1
InChIKeyUHMWZVYUZSYEEZ-GUTXKFCHSA-N
XLogP2.84
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Related Compounds

(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 11290918
(4R)-4-ethyl-3-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]-6-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
CID 11474742
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102157062
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3643779
methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate
CID 130980013
N-(1-adamantyl)-4-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 74228286
3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3417317

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate (CID 11233569) is methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@@H](OC(C)(C)C)C[C@@H](N2C(=O)OC[C@@H]2CC(C)C)O1.
What is the InChIKey of methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is UHMWZVYUZSYEEZ-GUTXKFCHSA-N. The full InChI is InChI=1S/C18H29NO6/c1-11(2)7-12-10-23-17(21)19(12)15-9-13(25-18(3,4)5)8-14(24-15)16(20)22-6/h8,11-13,15H,7,9-10H2,1-6H3/t12-,13+,15-/m0/s1.
What are the key properties of methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).