3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid

C19H43NO4Si2 — CID 164815617

IUPAC3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O
InChIInChI=1S/C19H43NO4Si2/c1-18(2,3)25(7,8)23-15-13-20(12-11-17(21)22)14-16-24-26(9,10)19(4,5)6/h11-16H2,1-10H3,(H,21,22)
InChIKeyRPHCKHLHZUSGQH-UHFFFAOYSA-N
MW405.73 g/mol
LogP4.81
Rot. Bonds11

About 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid

3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid (PubChem CID 164815617) has the molecular formula C19H43NO4Si2 and a molecular weight of 405.73 g/mol. Its IUPAC name is 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
PubChem CID164815617
Molecular FormulaC19H43NO4Si2
Molecular Weight405.73 g/mol
Exact Mass405.27
IUPAC Name3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O
InChIInChI=1S/C19H43NO4Si2/c1-18(2,3)25(7,8)23-15-13-20(12-11-17(21)22)14-16-24-26(9,10)19(4,5)6/h11-16H2,1-10H3,(H,21,22)
InChIKeyRPHCKHLHZUSGQH-UHFFFAOYSA-N
XLogP4.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.73
LogP ≤ 54.81
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

2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]ethyl 3-aminopropanoate
CID 57115648
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 54470392
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloroacetamide
CID 15287415
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474

Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid?
The IUPAC name of 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid (CID 164815617) is 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid.
What is the SMILES notation for 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid?
The canonical SMILES for 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid is CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)CCC(=O)O.
What is the InChIKey of 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid?
The InChIKey is RPHCKHLHZUSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4Si2/c1-18(2,3)25(7,8)23-15-13-20(12-11-17(21)22)14-16-24-26(9,10)19(4,5)6/h11-16H2,1-10H3,(H,21,22).
What are the key properties of 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid?
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid has a molecular weight of 405.73 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid is sourced from PubChem (CID 164815617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).