benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

C13H19NO3 — CID 10900657

IUPACbenzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)12(8-15)14-13(16)17-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyBGHASJBQTDDGLA-GFCCVEGCSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds5

About benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 10900657) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID10900657
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)12(8-15)14-13(16)17-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyBGHASJBQTDDGLA-GFCCVEGCSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 10900657) is benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is BGHASJBQTDDGLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)12(8-15)14-13(16)17-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 10900657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).