tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate

C27H42N2O6 — CID 135002155

IUPACtert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate
SMILESC[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)N1[C@H](c2ccccc2)COC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H42N2O6/c1-18(24(32)35-26(5,6)7)28-23(31)20(15-16-22(30)34-25(2,3)4)29-21(17-33-27(29,8)9)19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3,(H,28,31)/t18-,20-,21-/m0/s1
InChIKeyBJLRELYGFGJFOA-JBACZVJFSA-N
MW490.64 g/mol
LogP4.13
Rot. Bonds8

About tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate

tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate (PubChem CID 135002155) has the molecular formula C27H42N2O6 and a molecular weight of 490.64 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate
PubChem CID135002155
Molecular FormulaC27H42N2O6
Molecular Weight490.64 g/mol
Exact Mass490.30
IUPAC Nametert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate
SMILESC[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)N1[C@H](c2ccccc2)COC1(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H42N2O6/c1-18(24(32)35-26(5,6)7)28-23(31)20(15-16-22(30)34-25(2,3)4)29-21(17-33-27(29,8)9)19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3,(H,28,31)/t18-,20-,21-/m0/s1
InChIKeyBJLRELYGFGJFOA-JBACZVJFSA-N
XLogP4.13
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate with MolForge

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Related Compounds

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1-[2-[(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5-oxopyrrolidine-2-carboxylic acid;hydrochloride
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1-(2S-(1S-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl)-pyrrolidine-2S-carboxylic acid ethyl ester
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Tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-YL)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate
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1-(4-methylbenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241451
(4S)-4-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 44559950
(4S)-4-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 44559951
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-5-oxopyrrolidine-2-carboxylic acid
CID 13295426

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate?
The IUPAC name of tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate (CID 135002155) is tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate.
What is the SMILES notation for tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate?
The canonical SMILES for tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate is C[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)N1[C@H](c2ccccc2)COC1(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate?
The InChIKey is BJLRELYGFGJFOA-JBACZVJFSA-N. The full InChI is InChI=1S/C27H42N2O6/c1-18(24(32)35-26(5,6)7)28-23(31)20(15-16-22(30)34-25(2,3)4)29-21(17-33-27(29,8)9)19-13-11-10-12-14-19/h10-14,18,20-21H,15-17H2,1-9H3,(H,28,31)/t18-,20-,21-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate?
tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate has a molecular weight of 490.64 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 135002155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).