methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate

C18H31NO4Si — CID 59524397

IUPACmethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H31NO4Si/c1-17(2,3)24(6,7)23-15-10-8-9-14(11-15)12-19-18(4,13-20)16(21)22-5/h8-11,19-20H,12-13H2,1-7H3
InChIKeyNYDSOZJDVCYEOV-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.08
Rot. Bonds7

About methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate

methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate (PubChem CID 59524397) has the molecular formula C18H31NO4Si and a molecular weight of 353.54 g/mol. Its IUPAC name is methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate
PubChem CID59524397
Molecular FormulaC18H31NO4Si
Molecular Weight353.54 g/mol
Exact Mass353.20
IUPAC Namemethyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H31NO4Si/c1-17(2,3)24(6,7)23-15-10-8-9-14(11-15)12-19-18(4,13-20)16(21)22-5/h8-11,19-20H,12-13H2,1-7H3
InChIKeyNYDSOZJDVCYEOV-UHFFFAOYSA-N
XLogP3.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
CID 59524403
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474
methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylcarbamoyl]-2-chlorocyclohexa-1,5-diene-1-carboxylic acid
CID 163932863
2-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
CID 67025353
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-5-propanoyl-4-(trifluoromethyl)thiophene-2-carboxamide
CID 123379153
2-methyl-2-[(3-propoxyphenyl)methylamino]pentanoic acid
CID 65055831
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate (CID 59524397) is methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate is COC(=O)C(C)(CO)NCc1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate?
The InChIKey is NYDSOZJDVCYEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4Si/c1-17(2,3)24(6,7)23-15-10-8-9-14(11-15)12-19-18(4,13-20)16(21)22-5/h8-11,19-20H,12-13H2,1-7H3.
What are the key properties of methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate?
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate has a molecular weight of 353.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 59524397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).