tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate

C9H19NO3 — CID 10375241

IUPACtert-butyl N-(3-hydroxypropyl)-N-methylcarbamate
SMILESCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3
InChIKeyGJGLBUZZTLPCOT-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate

tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate (PubChem CID 10375241) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)-N-methylcarbamate
PubChem CID10375241
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl N-(3-hydroxypropyl)-N-methylcarbamate
SMILESCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3
InChIKeyGJGLBUZZTLPCOT-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate 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-(3-hydroxypropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate (CID 10375241) is tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate is CN(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate?
The InChIKey is GJGLBUZZTLPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate?
tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate is sourced from PubChem (CID 10375241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).