[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

C23H33N3O7 — CID 142626218

IUPAC[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(=O)OC1OCN(C(=O)C(NC(=O)C(NC(=O)O)C(C)C)C(C)C)C1Cc1ccccc1
InChIInChI=1S/C23H33N3O7/c1-13(2)18(25-23(30)31)20(28)24-19(14(3)4)21(29)26-12-32-22(33-15(5)27)17(26)11-16-9-7-6-8-10-16/h6-10,13-14,17-19,22,25H,11-12H2,1-5H3,(H,24,28)(H,30,31)
InChIKeyXEYWNBQZLIEZQC-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.74
Rot. Bonds9

About [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 142626218) has the molecular formula C23H33N3O7 and a molecular weight of 463.53 g/mol. Its IUPAC name is [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID142626218
Molecular FormulaC23H33N3O7
Molecular Weight463.53 g/mol
Exact Mass463.23
IUPAC Name[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(=O)OC1OCN(C(=O)C(NC(=O)C(NC(=O)O)C(C)C)C(C)C)C1Cc1ccccc1
InChIInChI=1S/C23H33N3O7/c1-13(2)18(25-23(30)31)20(28)24-19(14(3)4)21(29)26-12-32-22(33-15(5)27)17(26)11-16-9-7-6-8-10-16/h6-10,13-14,17-19,22,25H,11-12H2,1-5H3,(H,24,28)(H,30,31)
InChIKeyXEYWNBQZLIEZQC-UHFFFAOYSA-N
XLogP1.74
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-benzyl-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-1,3-oxazolidin-5-yl] acetate
CID 74992060
[1-[(4S,5R)-4-benzyl-5-hydroxy-1,3-oxazolidin-3-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 54296386
benzyl N-[1-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-3-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 139783814
[4-[[3-[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]-1,3-oxazolidin-4-yl]methyl]phenyl] acetate
CID 139783809
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 7019129
[(2S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]oxolan-2-yl] acetate
CID 54054053
benzyl N-[(2S)-1-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56985401
benzyl (2S)-1-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241684
benzyl (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 25241695
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]carbamate
CID 70956192
benzyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoate
CID 10981319

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 142626218) is [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(=O)OC1OCN(C(=O)C(NC(=O)C(NC(=O)O)C(C)C)C(C)C)C1Cc1ccccc1.
What is the InChIKey of [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is XEYWNBQZLIEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O7/c1-13(2)18(25-23(30)31)20(28)24-19(14(3)4)21(29)26-12-32-22(33-15(5)27)17(26)11-16-9-7-6-8-10-16/h6-10,13-14,17-19,22,25H,11-12H2,1-5H3,(H,24,28)(H,30,31).
What are the key properties of [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 463.53 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(5-acetyloxy-4-benzyl-1,3-oxazolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 142626218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).