methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate

C13H27NO4Si — CID 66827034

IUPACmethyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](O)CN1CC(CC(C)(C)[Si](C)(C)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,19(4,5)17)6-10-7-14(8-10)9-11(15)12(16)18-3/h10-11,15,17H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyOOFCEVFXGXKMLR-NSHDSACASA-N
MW289.45 g/mol
LogP0.82
Rot. Bonds6

About methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate

methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate (PubChem CID 66827034) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate
PubChem CID66827034
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC Namemethyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](O)CN1CC(CC(C)(C)[Si](C)(C)O)C1
InChIInChI=1S/C13H27NO4Si/c1-13(2,19(4,5)17)6-10-7-14(8-10)9-11(15)12(16)18-3/h10-11,15,17H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyOOFCEVFXGXKMLR-NSHDSACASA-N
XLogP0.82
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 87688849
methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 89164564
2-hydroxy-3-(3-propylazetidin-1-yl)propanamide
CID 106172316
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
2-hydroxy-3-(3-methylazetidin-1-yl)propanamide
CID 106172308
methyl 2-hydroxypentanoate
CID 543619
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate
CID 89008625
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate (CID 66827034) is methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate is COC(=O)[C@@H](O)CN1CC(CC(C)(C)[Si](C)(C)O)C1.
What is the InChIKey of methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate?
The InChIKey is OOFCEVFXGXKMLR-NSHDSACASA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-13(2,19(4,5)17)6-10-7-14(8-10)9-11(15)12(16)18-3/h10-11,15,17H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate?
methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate has a molecular weight of 289.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate is sourced from PubChem (CID 66827034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).