tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate

C15H23NO5 — CID 99909250

IUPACtert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
SMILESCOc1cccc(OC)c1[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5/c1-15(2,3)21-14(18)16-9-10(17)13-11(19-4)7-6-8-12(13)20-5/h6-8,10,17H,9H2,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyJBMRYOSFGUPVJZ-SNVBAGLBSA-N
MW297.35 g/mol
LogP2.26
Rot. Bonds5

About tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate (PubChem CID 99909250) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
PubChem CID99909250
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nametert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
SMILESCOc1cccc(OC)c1[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5/c1-15(2,3)21-14(18)16-9-10(17)13-11(19-4)7-6-8-12(13)20-5/h6-8,10,17H,9H2,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyJBMRYOSFGUPVJZ-SNVBAGLBSA-N
XLogP2.26
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86092021
tert-butyl N-[4-(2,6-dimethoxyphenyl)-4-oxobutyl]carbamate
CID 102544236
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
tert-butyl N-[3-(3-aminophenyl)-2-(2-methoxyphenyl)propyl]carbamate
CID 174734981
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate (CID 99909250) is tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate is COc1cccc(OC)c1[C@H](O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate?
The InChIKey is JBMRYOSFGUPVJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(2,3)21-14(18)16-9-10(17)13-11(19-4)7-6-8-12(13)20-5/h6-8,10,17H,9H2,1-5H3,(H,16,18)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate?
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 99909250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).