tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate

C30H42N2O7 — CID 11082117

IUPACtert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H42N2O7/c1-29(2,3)38-27(34)31-17-23-25(36-19-21-13-9-7-10-14-21)26(37-20-22-15-11-8-12-16-22)24(33)18-32(23)28(35)39-30(4,5)6/h7-16,23-26,33H,17-20H2,1-6H3,(H,31,34)/t23-,24-,25-,26-/m1/s1
InChIKeyRRQVSYVWDRFBNR-VEYUFSJPSA-N
MW542.67 g/mol
LogP4.66
Rot. Bonds8

About tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate

tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate (PubChem CID 11082117) has the molecular formula C30H42N2O7 and a molecular weight of 542.67 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
PubChem CID11082117
Molecular FormulaC30H42N2O7
Molecular Weight542.67 g/mol
Exact Mass542.30
IUPAC Nametert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H42N2O7/c1-29(2,3)38-27(34)31-17-23-25(36-19-21-13-9-7-10-14-21)26(37-20-22-15-11-8-12-16-22)24(33)18-32(23)28(35)39-30(4,5)6/h7-16,23-26,33H,17-20H2,1-6H3,(H,31,34)/t23-,24-,25-,26-/m1/s1
InChIKeyRRQVSYVWDRFBNR-VEYUFSJPSA-N
XLogP4.66
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.67
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-
CID 463292
benzyl N-[(1S)-1-[(3-hydroxyoxan-4-yl)carbamoyl]-3-methylbutyl]carbamate
CID 10522795
benzyl N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 10957958
benzyl N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 13474486
methyl 2-((R)-((R)-1-((S)-1-cyclohexyl-3-(methylamino)propan-2-ylcarbamoyl)piperidin-3-yl)(phenyl)methoxy)ethylcarbamate
CID 46224954
{(S)-1-[(3R,4R)-4-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-hydroxy-piperidine-1-carbonyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 10507960
{[(3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperidin-2-ylmethyl)-carbamoyl]-methyl}-carbamic acid benzyl ester
CID 44341419
(S)-3-tert-Butylcarbamoyl-4-{(2R,3S)-2-hydroxy-4-phenyl-3-[(S)-(tetrahydro-furan-3-yl)oxycarbonylamino]-butyl}-piperazine-1-carboxylic acid benzyl ester
CID 462739
((3R,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-carbamic acid benzyl ester
CID 44294948
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-carbamic acid benzyl ester
CID 15126987
((R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-carbamic acid benzyl ester
CID 44334984
benzyl N-[6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]carbamate
CID 71718230

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate (CID 11082117) is tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)NC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate?
The InChIKey is RRQVSYVWDRFBNR-VEYUFSJPSA-N. The full InChI is InChI=1S/C30H42N2O7/c1-29(2,3)38-27(34)31-17-23-25(36-19-21-13-9-7-10-14-21)26(37-20-22-15-11-8-12-16-22)24(33)18-32(23)28(35)39-30(4,5)6/h7-16,23-26,33H,17-20H2,1-6H3,(H,31,34)/t23-,24-,25-,26-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate?
tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate has a molecular weight of 542.67 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R,5R)-5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,4-bis(phenylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 11082117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).