dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate

C12H25NO5Si — CID 11460528

IUPACdimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](NO[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H25NO5Si/c1-8(2)10(13-18-19(5,6)7)9(11(14)16-3)12(15)17-4/h8-10,13H,1-7H3/t10-/m1/s1
InChIKeyRIUHYTXSTRLVCN-SNVBAGLBSA-N
MW291.42 g/mol
LogP1.33
Rot. Bonds7

About dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate

dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate (PubChem CID 11460528) has the molecular formula C12H25NO5Si and a molecular weight of 291.42 g/mol. Its IUPAC name is dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate
PubChem CID11460528
Molecular FormulaC12H25NO5Si
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Namedimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H](NO[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H25NO5Si/c1-8(2)10(13-18-19(5,6)7)9(11(14)16-3)12(15)17-4/h8-10,13H,1-7H3/t10-/m1/s1
InChIKeyRIUHYTXSTRLVCN-SNVBAGLBSA-N
XLogP1.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate
CID 25187938
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
(2R)-4-methoxy-3-methoxycarbonyl-2-methyl-4-oxobutanoic acid
CID 134916986
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl 4,4,4-trifluoro-3-oxo-2-propan-2-ylbutanoate
CID 72737807
dimethyl 2-(methylamino)propanedioate;ethane
CID 143043774
dimethyl 2-(6-hydroxy-2-methylhex-4-yn-3-yl)propanedioate
CID 121002086
methyl (2R,3S)-3-(methoxycarbonylamino)-4-methyl-2-propan-2-ylpentanoate
CID 10634108
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate?
The IUPAC name of dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate (CID 11460528) is dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate?
The canonical SMILES for dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate is COC(=O)C(C(=O)OC)[C@H](NO[Si](C)(C)C)C(C)C.
What is the InChIKey of dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate?
The InChIKey is RIUHYTXSTRLVCN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO5Si/c1-8(2)10(13-18-19(5,6)7)9(11(14)16-3)12(15)17-4/h8-10,13H,1-7H3/t10-/m1/s1.
What are the key properties of dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate?
dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate has a molecular weight of 291.42 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(1R)-2-methyl-1-(trimethylsilyloxyamino)propyl]propanedioate is sourced from PubChem (CID 11460528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).