benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate

C22H29NO4Si — CID 102375369

IUPACbenzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate
SMILESC[C@H](NC(=O)OCC(c1ccccc1)[Si](C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-17(21(24)26-15-18-11-7-5-8-12-18)23-22(25)27-16-20(28(2,3)4)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,23,25)/t17-,20?/m0/s1
InChIKeyBRNFPJYENWZJNN-DIMJTDRSSA-N
MW399.56 g/mol
LogP4.51
Rot. Bonds8

About benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate

benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate (PubChem CID 102375369) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate
PubChem CID102375369
Molecular FormulaC22H29NO4Si
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Namebenzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate
SMILESC[C@H](NC(=O)OCC(c1ccccc1)[Si](C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-17(21(24)26-15-18-11-7-5-8-12-18)23-22(25)27-16-20(28(2,3)4)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,23,25)/t17-,20?/m0/s1
InChIKeyBRNFPJYENWZJNN-DIMJTDRSSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
methyl (2S)-6-(phenylmethoxycarbonylamino)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]hexanoate
CID 102375372
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
benzyl (2S)-2-(1-chloroethoxycarbonylamino)propanoate
CID 141463204
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
benzyl (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 15929373
(2-benzhydryloxy-2-oxo-1-phenylethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 70494708
(2R)-2-phenyl-2-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]sulfanylacetic acid
CID 102092850

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate?
The IUPAC name of benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate (CID 102375369) is benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate?
The canonical SMILES for benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate is C[C@H](NC(=O)OCC(c1ccccc1)[Si](C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate?
The InChIKey is BRNFPJYENWZJNN-DIMJTDRSSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-17(21(24)26-15-18-11-7-5-8-12-18)23-22(25)27-16-20(28(2,3)4)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,23,25)/t17-,20?/m0/s1.
What are the key properties of benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate?
benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate has a molecular weight of 399.56 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2-phenyl-2-trimethylsilylethoxy)carbonylamino]propanoate is sourced from PubChem (CID 102375369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).