tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate

C20H36N2O5 — CID 154721765

IUPACtert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O5/c1-13(2)15(17(24)26-19(3,4)5)21-16(23)14-10-9-11-22(12-14)18(25)27-20(6,7)8/h13-15H,9-12H2,1-8H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJECWFMWYXPGOOR-GJZGRUSLSA-N
MW384.52 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 154721765) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID154721765
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Nametert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O5/c1-13(2)15(17(24)26-19(3,4)5)21-16(23)14-10-9-11-22(12-14)18(25)27-20(6,7)8/h13-15H,9-12H2,1-8H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJECWFMWYXPGOOR-GJZGRUSLSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-acetic acid
CID 44287428
Tert-butyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 45791700
Tert-butyl 2-(((tert-butoxy)carbonyl)((piperidin-3-yl)methyl)amino)acetate
CID 86811560
tert-Butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 156644326
tert-butyl (2R)-3-methyl-2-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]butanoate
CID 121565513
tert-butyl (2S)-2-[(3R)-3-[bis[(2-methylpropan-2-yl)oxymethyl]amino]-2-oxopiperidin-1-yl]-3-methylbutanoate
CID 123507294
tert-Butyl (2S)-2-{3-[(R)-bis(tert-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate
CID 139082345
t-Butyl (2s)-2-{[(2s)-4-methyl-1-(morpholin4-yl)-1-oxopentan-2-yl]carbamoyl}pyrrolidine-1carboxylate
CID 145997657
tert-butyl (2S)-3-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]pentanoate
CID 154721763
Boc-Leu-Gly-Ala-OtBu
CID 164674734
Tert-butyl 3-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 56154993
Methyl 2-[[1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carbonyl]amino]acetate
CID 45231549

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate (CID 154721765) is tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate is CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is JECWFMWYXPGOOR-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-13(2)15(17(24)26-19(3,4)5)21-16(23)14-10-9-11-22(12-14)18(25)27-20(6,7)8/h13-15H,9-12H2,1-8H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 154721765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).