methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C18H29NO4Si — CID 15383275

IUPACmethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO4Si/c1-18(2,3)23-17(21)19-15(16(20)22-4)12-13-24(5,6)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m1/s1
InChIKeyTXPNGTMSYUAACO-OAHLLOKOSA-N
MW351.52 g/mol
LogP3.06
Rot. Bonds6

About methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 15383275) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID15383275
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Namemethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO4Si/c1-18(2,3)23-17(21)19-15(16(20)22-4)12-13-24(5,6)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m1/s1
InChIKeyTXPNGTMSYUAACO-OAHLLOKOSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.06
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

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 10741724
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate
CID 10982674
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylselanylbutanoic acid
CID 11121876
methyl (2R,3R)-3-(4-chlorophenyl)selanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11517049
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoate
CID 11523310
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 15453554

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 15383275) is methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is TXPNGTMSYUAACO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-18(2,3)23-17(21)19-15(16(20)22-4)12-13-24(5,6)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m1/s1.
What are the key properties of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 351.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 15383275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).