tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate

C11H23NO4 — CID 162409640

IUPACtert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-6-7-9(8-13)12(15)10(14)16-11(2,3)4/h9,13,15H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyFPYAIQMVSVFYPL-VIFPVBQESA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds5

About tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate

tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate (PubChem CID 162409640) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate
PubChem CID162409640
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-6-7-9(8-13)12(15)10(14)16-11(2,3)4/h9,13,15H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyFPYAIQMVSVFYPL-VIFPVBQESA-N
XLogP2.16
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-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 tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate (CID 162409640) is tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate is CCCC[C@@H](CO)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The InChIKey is FPYAIQMVSVFYPL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-6-7-9(8-13)12(15)10(14)16-11(2,3)4/h9,13,15H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate is sourced from PubChem (CID 162409640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).