tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate

C14H22N2O3 — CID 84711662

IUPACtert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate
SMILESCC(CN)c1ccc(O)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-9(8-15)10-5-6-12(17)11(7-10)16-13(18)19-14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18)
InChIKeyGVHCZNGVAAKAQG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate

tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate (PubChem CID 84711662) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate
PubChem CID84711662
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate
SMILESCC(CN)c1ccc(O)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-9(8-15)10-5-6-12(17)11(7-10)16-13(18)19-14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18)
InChIKeyGVHCZNGVAAKAQG-UHFFFAOYSA-N
XLogP2.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
tert-butyl N-[2-chloro-5-(4-oxobutan-2-yl)phenyl]carbamate
CID 117107577
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
2-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117451247
tert-butyl N-[5-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]-2-hydroxyphenyl]carbamate
CID 178195072
tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
CID 117472222
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963
2-[1-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropyl]acetic acid
CID 117492320
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
CID 107239656
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate (CID 84711662) is tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate is CC(CN)c1ccc(O)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate?
The InChIKey is GVHCZNGVAAKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(8-15)10-5-6-12(17)11(7-10)16-13(18)19-14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate?
tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate is sourced from PubChem (CID 84711662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).