tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate

C20H34N2O3 — CID 67087089

IUPACtert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate
SMILESCC(C)(CCNC(=O)OC(C)(C)C)C[C@@H](CN)OCc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-19(2,3)25-18(23)22-12-11-20(4,5)13-17(14-21)24-15-16-9-7-6-8-10-16/h6-10,17H,11-15,21H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyTZIBOOLCEYZWOI-KRWDZBQOSA-N
MW350.50 g/mol
LogP3.86
Rot. Bonds9

About tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate

tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate (PubChem CID 67087089) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate
PubChem CID67087089
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nametert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate
SMILESCC(C)(CCNC(=O)OC(C)(C)C)C[C@@H](CN)OCc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-19(2,3)25-18(23)22-12-11-20(4,5)13-17(14-21)24-15-16-9-7-6-8-10-16/h6-10,17H,11-15,21H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyTZIBOOLCEYZWOI-KRWDZBQOSA-N
XLogP3.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
benzyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 130376705
tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
CID 86645501
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
CID 13391120
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butanoate
CID 169156870
dibenzyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]butanedioate
CID 58688061

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate (CID 67087089) is tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate is CC(C)(CCNC(=O)OC(C)(C)C)C[C@@H](CN)OCc1ccccc1.
What is the InChIKey of tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate?
The InChIKey is TZIBOOLCEYZWOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-19(2,3)25-18(23)22-12-11-20(4,5)13-17(14-21)24-15-16-9-7-6-8-10-16/h6-10,17H,11-15,21H2,1-5H3,(H,22,23)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate?
tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate has a molecular weight of 350.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate is sourced from PubChem (CID 67087089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).