methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate

C19H33NO3Si2 — CID 10714769

IUPACmethyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate
SMILESCOC(=O)[C@H]([C@H](C(=O)N[C@H](C)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H33NO3Si2/c1-14(15-12-10-9-11-13-15)20-18(21)16(24(3,4)5)17(19(22)23-2)25(6,7)8/h9-14,16-17H,1-8H3,(H,20,21)/t14-,16-,17+/m1/s1
InChIKeyGCUXDLLLZJBGHQ-OIISXLGYSA-N
MW379.65 g/mol
LogP4.45
Rot. Bonds7

About methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate

methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate (PubChem CID 10714769) has the molecular formula C19H33NO3Si2 and a molecular weight of 379.65 g/mol. Its IUPAC name is methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate
PubChem CID10714769
Molecular FormulaC19H33NO3Si2
Molecular Weight379.65 g/mol
Exact Mass379.20
IUPAC Namemethyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate
SMILESCOC(=O)[C@H]([C@H](C(=O)N[C@H](C)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H33NO3Si2/c1-14(15-12-10-9-11-13-15)20-18(21)16(24(3,4)5)17(19(22)23-2)25(6,7)8/h9-14,16-17H,1-8H3,(H,20,21)/t14-,16-,17+/m1/s1
InChIKeyGCUXDLLLZJBGHQ-OIISXLGYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate with MolForge

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Related Compounds

4-((Diphenylmethyl)amino)-4-oxobutanoic acid
CID 245011
(R)-4-Oxo-4-((1-phenylethyl)amino)butyric acid
CID 89035
(S)-4-Oxo-4-((1-phenylethyl)amino)butyric acid
CID 89036
Methyl 4-(benzylamino)-4-oxobutanoate
CID 2059201
3-[(1-Phenylethyl)carbamoyl]propanoic acid
CID 2826757
Ethyl 4-acetamido-2,2-difluoro-4-(4-trimethylsilylphenyl)butanoate
CID 154721079
(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 10503283
N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
CID 85162813
Ethyl 4-oxo-4-(1-phenylethylamino)butanoate
CID 60635026
N-(phenethyl)succinamic acid methyl ester
CID 66980932
CID 139053302
CID 139053302
Propan-2-yl 4-oxo-4-(1-phenylethylamino)butanoate
CID 177253900

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate?
The IUPAC name of methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate (CID 10714769) is methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate.
What is the SMILES notation for methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate?
The canonical SMILES for methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate is COC(=O)[C@H]([C@H](C(=O)N[C@H](C)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate?
The InChIKey is GCUXDLLLZJBGHQ-OIISXLGYSA-N. The full InChI is InChI=1S/C19H33NO3Si2/c1-14(15-12-10-9-11-13-15)20-18(21)16(24(3,4)5)17(19(22)23-2)25(6,7)8/h9-14,16-17H,1-8H3,(H,20,21)/t14-,16-,17+/m1/s1.
What are the key properties of methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate?
methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate has a molecular weight of 379.65 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-4-oxo-4-[[(1R)-1-phenylethyl]amino]-2,3-bis(trimethylsilyl)butanoate is sourced from PubChem (CID 10714769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).