tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate

C11H23NO3 — CID 546110

IUPACtert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
SMILESCC(C)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyLQTMEOSBXTVYRM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds4

About tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate

tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate (PubChem CID 546110) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
PubChem CID546110
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
SMILESCC(C)CC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyLQTMEOSBXTVYRM-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-hydroxy-4-methylpentan-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-(1-hydroxy-4-methylpentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate (CID 546110) is tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate is CC(C)CC(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate?
The InChIKey is LQTMEOSBXTVYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate?
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 546110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).