tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate

C13H20N2O3 — CID 170855746

IUPACtert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-7-6-9-4-5-10(14)11(16)8-9/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyVSGBFZKYESVTBD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate

tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate (PubChem CID 170855746) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
PubChem CID170855746
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-7-6-9-4-5-10(14)11(16)8-9/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyVSGBFZKYESVTBD-UHFFFAOYSA-N
XLogP2.04
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[2-[4-(2-amino-5-chlorobenzoyl)phenyl]ethyl]carbamate
CID 18315378
tert-butyl N-[2-(3-bromo-4-chlorophenyl)ethyl]carbamate
CID 68945213
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 139721385
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[3-(2-amino-5-chlorobenzoyl)phenyl]ethyl]carbamate
CID 18315389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate (CID 170855746) is tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(N)c(O)c1.
What is the InChIKey of tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate?
The InChIKey is VSGBFZKYESVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-7-6-9-4-5-10(14)11(16)8-9/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 170855746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).