tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C19H33N3O8 — CID 11419025

IUPACtert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H33N3O8/c1-10(23)13(16(26)28-8)21-12(24)9-20-15(25)14-11(2)29-19(6,7)22(14)17(27)30-18(3,4)5/h10-11,13-14,23H,9H2,1-8H3,(H,20,25)(H,21,24)/t10-,11-,13+,14+/m1/s1
InChIKeyVNJNTIHQMHDORW-RFHZTLPTSA-N
MW431.49 g/mol
LogP-0.10
Rot. Bonds6

About tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11419025) has the molecular formula C19H33N3O8 and a molecular weight of 431.49 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11419025
Molecular FormulaC19H33N3O8
Molecular Weight431.49 g/mol
Exact Mass431.23
IUPAC Nametert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H33N3O8/c1-10(23)13(16(26)28-8)21-12(24)9-20-15(25)14-11(2)29-19(6,7)22(14)17(27)30-18(3,4)5/h10-11,13-14,23H,9H2,1-8H3,(H,20,25)(H,21,24)/t10-,11-,13+,14+/m1/s1
InChIKeyVNJNTIHQMHDORW-RFHZTLPTSA-N
XLogP-0.10
TPSA143.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S,5S)-4-carbamoyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95903192
2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 54594433
tert-butyl (4R,5S)-4-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 96504275
tert-butyl (4R,5S)-2,2,5-trimethyl-4-[(propan-2-ylcarbamoylamino)methyl]-1,3-oxazolidine-3-carboxylate
CID 96538264
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;(2R,3R)-3-methylpent-4-en-2-ol
CID 158619626
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(3R,4R)-4-hydroxypent-1-en-3-yl]carbamate;methane
CID 162259502
tert-butyl (4R,5R)-4-[(1R)-2-acetamido-3,3-diethoxy-1-hydroxypropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 171379504
4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 68766442
tert-butyl 2,2,5-trimethyl-4-[[(N'-methylcarbamimidoyl)amino]methyl]-1,3-oxazolidine-3-carboxylate
CID 111466046
3-O-tert-butyl 4-O-methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 11002352
tert-butyl (4S,5S)-4-[(1-benzylpyrazol-3-yl)carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 96504366
tert-butyl (4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 70020533

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11419025) is tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VNJNTIHQMHDORW-RFHZTLPTSA-N. The full InChI is InChI=1S/C19H33N3O8/c1-10(23)13(16(26)28-8)21-12(24)9-20-15(25)14-11(2)29-19(6,7)22(14)17(27)30-18(3,4)5/h10-11,13-14,23H,9H2,1-8H3,(H,20,25)(H,21,24)/t10-,11-,13+,14+/m1/s1.
What are the key properties of tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 431.49 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-[[2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11419025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).