tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate

C15H24N2O4 — CID 15529439

IUPACtert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate
SMILESCOc1cccc(N)c1C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-10(9-18)8-11-12(16)6-5-7-13(11)20-4/h5-7,10,18H,8-9,16H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyLLEGGXCZJGFMKD-JTQLQIEISA-N
MW296.37 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate (PubChem CID 15529439) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate
PubChem CID15529439
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate
SMILESCOc1cccc(N)c1C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-10(9-18)8-11-12(16)6-5-7-13(11)20-4/h5-7,10,18H,8-9,16H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyLLEGGXCZJGFMKD-JTQLQIEISA-N
XLogP1.71
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-(4-cyano-2-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 129196909
tert-butyl N-[1-hydroxy-3-(2-tetradecoxyphenyl)propan-2-yl]carbamate
CID 21193346
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[1-hydroxy-3-(4-iodophenyl)propan-2-yl]carbamate
CID 45358210
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
methyl 3-(2-(18F)fluoro-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156599478
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
ethyl 4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 67151474
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate (CID 15529439) is tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate is COc1cccc(N)c1C[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is LLEGGXCZJGFMKD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-10(9-18)8-11-12(16)6-5-7-13(11)20-4/h5-7,10,18H,8-9,16H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(2-amino-6-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 15529439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).