[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate

C11H21NO5 — CID 102469835

IUPAC[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
SMILESCC(=O)OC[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-8(14)16-7-11(5,6-13)12-9(15)17-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1
InChIKeyGRSIXQASRJVYAX-NSHDSACASA-N
MW247.29 g/mol
LogP0.83
Rot. Bonds4

About [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate

[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate (PubChem CID 102469835) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
PubChem CID102469835
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
SMILESCC(=O)OC[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-8(14)16-7-11(5,6-13)12-9(15)17-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1
InChIKeyGRSIXQASRJVYAX-NSHDSACASA-N
XLogP0.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate 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 [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate?
The IUPAC name of [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate (CID 102469835) is [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate.
What is the SMILES notation for [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate?
The canonical SMILES for [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate is CC(=O)OC[C@](C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate?
The InChIKey is GRSIXQASRJVYAX-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO5/c1-8(14)16-7-11(5,6-13)12-9(15)17-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate?
[(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate has a molecular weight of 247.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate is sourced from PubChem (CID 102469835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).