benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate

C11H15NO3 — CID 10262499

IUPACbenzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyAFPHMHSLDRPUSM-VIFPVBQESA-N
MW209.25 g/mol
LogP1.29
Rot. Bonds4

About benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate (PubChem CID 10262499) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
PubChem CID10262499
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namebenzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyAFPHMHSLDRPUSM-VIFPVBQESA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2S)-1-hydroxypropan-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-hydroxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate (CID 10262499) is benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate is C[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is AFPHMHSLDRPUSM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 10262499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).