tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate

C22H30N2O3 — CID 14704378

IUPACtert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19-,20-/m0/s1
InChIKeyDBVORMANDZVFIG-UFYCRDLUSA-N
MW370.49 g/mol
LogP3.05
Rot. Bonds7

About tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate

tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate (PubChem CID 14704378) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
PubChem CID14704378
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nametert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19-,20-/m0/s1
InChIKeyDBVORMANDZVFIG-UFYCRDLUSA-N
XLogP3.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate (CID 14704378) is tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
The InChIKey is DBVORMANDZVFIG-UFYCRDLUSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(2,3)27-21(26)24-19(15-17-12-8-5-9-13-17)20(25)18(23)14-16-10-6-4-7-11-16/h4-13,18-20,25H,14-15,23H2,1-3H3,(H,24,26)/t18-,19-,20-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate?
tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate is sourced from PubChem (CID 14704378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).