tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate

C11H21NO4 — CID 90213225

IUPACtert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate
SMILESC[C@H](O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C11H21NO4/c1-8(13)9-7-12(5-6-15-9)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyYISREGIVFNMYSB-IENPIDJESA-N
MW231.29 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate

tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate (PubChem CID 90213225) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate
PubChem CID90213225
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate
SMILESC[C@H](O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C11H21NO4/c1-8(13)9-7-12(5-6-15-9)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyYISREGIVFNMYSB-IENPIDJESA-N
XLogP1.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate 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 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate (CID 90213225) is tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate is C[C@H](O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate?
The InChIKey is YISREGIVFNMYSB-IENPIDJESA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(13)9-7-12(5-6-15-9)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate?
tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S)-1-hydroxyethyl]morpholine-4-carboxylate is sourced from PubChem (CID 90213225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).