tert-butyl N-[(2S)-2-hydroxypropyl]carbamate

C8H17NO3 — CID 11789722

IUPACtert-butyl N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyYNJCFDAODGKHAV-LURJTMIESA-N
MW175.23 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl N-[(2S)-2-hydroxypropyl]carbamate

tert-butyl N-[(2S)-2-hydroxypropyl]carbamate (PubChem CID 11789722) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-hydroxypropyl]carbamate
PubChem CID11789722
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyYNJCFDAODGKHAV-LURJTMIESA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-2-hydroxypropyl]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-[(2S)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-hydroxypropyl]carbamate (CID 11789722) is tert-butyl N-[(2S)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-hydroxypropyl]carbamate is C[C@H](O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-hydroxypropyl]carbamate?
The InChIKey is YNJCFDAODGKHAV-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-hydroxypropyl]carbamate?
tert-butyl N-[(2S)-2-hydroxypropyl]carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 11789722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).