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

C14H22N2O3 — CID 84729781

IUPACtert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)Cc1ccccc1O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-6-4-5-7-12(10)17/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyODIFFTHFIJBXTC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.79
Rot. Bonds4

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

tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate (PubChem CID 84729781) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
PubChem CID84729781
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)Cc1ccccc1O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-6-4-5-7-12(10)17/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyODIFFTHFIJBXTC-UHFFFAOYSA-N
XLogP1.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
CID 59704846
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
CID 84730429
2-[(2-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 156757857
benzenesulfonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54348171
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate (CID 84729781) is tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(N)Cc1ccccc1O.
What is the InChIKey of tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate?
The InChIKey is ODIFFTHFIJBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-9-11(15)8-10-6-4-5-7-12(10)17/h4-7,11,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate?
tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 84729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).