tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate

C10H21NO4 — CID 11844596

IUPACtert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate
SMILESC[C@@H](O)CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-8(13)7-11(5-6-12)9(14)15-10(2,3)4/h8,12-13H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJRDBBJCEOXYKKI-MRVPVSSYSA-N
MW219.28 g/mol
LogP0.60
Rot. Bonds4

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

tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate (PubChem CID 11844596) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate
PubChem CID11844596
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate
SMILESC[C@@H](O)CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO4/c1-8(13)7-11(5-6-12)9(14)15-10(2,3)4/h8,12-13H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJRDBBJCEOXYKKI-MRVPVSSYSA-N
XLogP0.60
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-hydroxyethyl)-N-[(2R)-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-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate (CID 11844596) is tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate is C[C@@H](O)CN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate?
The InChIKey is JRDBBJCEOXYKKI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(13)7-11(5-6-12)9(14)15-10(2,3)4/h8,12-13H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate?
tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 11844596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).