[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

C24H30N2O5Si — CID 174189114

IUPAC[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C[C@@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1
InChIInChI=1S/C24H30N2O5Si/c1-24(2,3)32(4,5)31-18-12-10-16(11-13-18)14-17(25-23(29)30)15-26-21(27)19-8-6-7-9-20(19)22(26)28/h6-13,17,25H,14-15H2,1-5H3,(H,29,30)/t17-/m0/s1
InChIKeyUBBXTNLEDNIDQQ-KRWDZBQOSA-N
MW454.60 g/mol
LogP4.55
Rot. Bonds7

About [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (PubChem CID 174189114) has the molecular formula C24H30N2O5Si and a molecular weight of 454.60 g/mol. Its IUPAC name is [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
PubChem CID174189114
Molecular FormulaC24H30N2O5Si
Molecular Weight454.60 g/mol
Exact Mass454.19
IUPAC Name[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C[C@@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1
InChIInChI=1S/C24H30N2O5Si/c1-24(2,3)32(4,5)31-18-12-10-16(11-13-18)14-17(25-23(29)30)15-26-21(27)19-8-6-7-9-20(19)22(26)28/h6-13,17,25H,14-15H2,1-5H3,(H,29,30)/t17-/m0/s1
InChIKeyUBBXTNLEDNIDQQ-KRWDZBQOSA-N
XLogP4.55
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-bromophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 68651874
tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propan-2-yl]carbamate
CID 69164075
[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
CID 150921209
[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189079
N-[(2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-dimethylphosphoryloxypropan-2-yl]acetamide
CID 58787911
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
2-[(2S)-2-[[(4-methylphenyl)-diphenylmethyl]amino]-3-phenylpropyl]isoindole-1,3-dione
CID 51341364
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-oxo-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-6-yl]propan-2-yl]carbamate
CID 174189073
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
tert-butyl (3R)-3-[(4-bromophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanoate
CID 160861427
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (CID 174189114) is [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)Oc1ccc(C[C@@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1.
What is the InChIKey of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is UBBXTNLEDNIDQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N2O5Si/c1-24(2,3)32(4,5)31-18-12-10-16(11-13-18)14-17(25-23(29)30)15-26-21(27)19-8-6-7-9-20(19)22(26)28/h6-13,17,25H,14-15H2,1-5H3,(H,29,30)/t17-/m0/s1.
What are the key properties of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 454.60 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 174189114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).