tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate

C15H24N2O4 — CID 83930271

IUPACtert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1cccc(O)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)17-8-7-12(16)13(19)10-5-4-6-11(18)9-10/h4-6,9,12-13,18-19H,7-8,16H2,1-3H3,(H,17,20)
InChIKeyKJGMNRGOLIJAOE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate

tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate (PubChem CID 83930271) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
PubChem CID83930271
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(N)C(O)c1cccc(O)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)17-8-7-12(16)13(19)10-5-4-6-11(18)9-10/h4-6,9,12-13,18-19H,7-8,16H2,1-3H3,(H,17,20)
InChIKeyKJGMNRGOLIJAOE-UHFFFAOYSA-N
XLogP1.67
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-4-(3-chlorophenyl)-4-hydroxybutyl]carbamate
CID 83924561
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
tert-butyl N-(3-amino-4-hydroxy-4-thiophen-3-ylbutyl)carbamate
CID 83927676
tert-butyl N-[4-amino-1-hydroxy-1-(3-hydroxyphenyl)butan-2-yl]carbamate
CID 83930270
tert-butyl N-[3-amino-4-(2,4-dimethylphenyl)-4-hydroxybutyl]carbamate
CID 83928007
tert-butyl N-[4-(3-acetylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884764
tert-butyl N-[4-[3-(2-aminoethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171884897
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
CID 83936067
tert-butyl N-[3,4-dihydroxy-4-(3-methylsulfonylphenyl)butyl]carbamate
CID 171885097
tert-butyl N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamate;tert-butyl N-[3-hydroxy-3-(3-methylphenyl)propyl]carbamate;tert-butyl N-[3-(3-hydroxyphenyl)-3-oxopropyl]carbamate;tert-butyl N-[3-(3-methylphenyl)-3-oxopropyl]carbamate
CID 159118729
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate (CID 83930271) is tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(N)C(O)c1cccc(O)c1.
What is the InChIKey of tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate?
The InChIKey is KJGMNRGOLIJAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)17-8-7-12(16)13(19)10-5-4-6-11(18)9-10/h4-6,9,12-13,18-19H,7-8,16H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate?
tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate is sourced from PubChem (CID 83930271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).