tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate

C19H36N2O6 — CID 102407929

IUPACtert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](O)CO)C1
InChIInChI=1S/C19H36N2O6/c1-18(2,3)26-16(24)20-9-7-13-8-10-21(14(11-13)15(23)12-22)17(25)27-19(4,5)6/h13-15,22-23H,7-12H2,1-6H3,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyUJXXADZJNLQEMQ-RBSFLKMASA-N
MW388.51 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate

tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate (PubChem CID 102407929) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
PubChem CID102407929
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC Nametert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](O)CO)C1
InChIInChI=1S/C19H36N2O6/c1-18(2,3)26-16(24)20-9-7-13-8-10-21(14(11-13)15(23)12-22)17(25)27-19(4,5)6/h13-15,22-23H,7-12H2,1-6H3,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyUJXXADZJNLQEMQ-RBSFLKMASA-N
XLogP2.27
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl 4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59868425
tert-butyl 2-(6-hydroxyhexan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 134382408
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate (CID 102407929) is tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](O)CO)C1.
What is the InChIKey of tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is UJXXADZJNLQEMQ-RBSFLKMASA-N. The full InChI is InChI=1S/C19H36N2O6/c1-18(2,3)26-16(24)20-9-7-13-8-10-21(14(11-13)15(23)12-22)17(25)27-19(4,5)6/h13-15,22-23H,7-12H2,1-6H3,(H,20,24)/t13-,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate?
tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 102407929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).