tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate

C15H21NO3 — CID 134858894

IUPACtert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O
InChIInChI=1S/C15H21NO3/c1-5-8-12(11-9-6-7-10-13(11)17)16-14(18)19-15(2,3)4/h5-7,9-10,12,17H,1,8H2,2-4H3,(H,16,18)/t12-/m1/s1
InChIKeyODWRCTRRKDITDE-GFCCVEGCSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate

tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate (PubChem CID 134858894) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate
PubChem CID134858894
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O
InChIInChI=1S/C15H21NO3/c1-5-8-12(11-9-6-7-10-13(11)17)16-14(18)19-15(2,3)4/h5-7,9-10,12,17H,1,8H2,2-4H3,(H,16,18)/t12-/m1/s1
InChIKeyODWRCTRRKDITDE-GFCCVEGCSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate (CID 134858894) is tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate is C=CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O.
What is the InChIKey of tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate?
The InChIKey is ODWRCTRRKDITDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-8-12(11-9-6-7-10-13(11)17)16-14(18)19-15(2,3)4/h5-7,9-10,12,17H,1,8H2,2-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate?
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 134858894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).