tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate

C11H23NO3 — CID 57440708

IUPACtert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C11H23NO3/c1-6-7-12(9(2)8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyRWDNHDPGVCEGAQ-VIFPVBQESA-N
MW217.31 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate

tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate (PubChem CID 57440708) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate
PubChem CID57440708
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C11H23NO3/c1-6-7-12(9(2)8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyRWDNHDPGVCEGAQ-VIFPVBQESA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate 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)-1-hydroxypropan-2-yl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate (CID 57440708) is tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)[C@@H](C)CO.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate?
The InChIKey is RWDNHDPGVCEGAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-7-12(9(2)8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate?
tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxypropan-2-yl]-N-propylcarbamate is sourced from PubChem (CID 57440708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).