2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid

C8H18ClNO2Si — CID 86038791

IUPAC2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid
SMILESCC(C)(C)[Si](C)(C)N(Cl)CC(=O)O
InChIInChI=1S/C8H18ClNO2Si/c1-8(2,3)13(4,5)10(9)6-7(11)12/h6H2,1-5H3,(H,11,12)
InChIKeyUENOJNRCZFYWIY-UHFFFAOYSA-N
MW223.78 g/mol
LogP2.53
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid

2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid (PubChem CID 86038791) has the molecular formula C8H18ClNO2Si and a molecular weight of 223.78 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid
PubChem CID86038791
Molecular FormulaC8H18ClNO2Si
Molecular Weight223.78 g/mol
Exact Mass223.08
IUPAC Name2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid
SMILESCC(C)(C)[Si](C)(C)N(Cl)CC(=O)O
InChIInChI=1S/C8H18ClNO2Si/c1-8(2,3)13(4,5)10(9)6-7(11)12/h6H2,1-5H3,(H,11,12)
InChIKeyUENOJNRCZFYWIY-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid (CID 86038791) is 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid is CC(C)(C)[Si](C)(C)N(Cl)CC(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid?
The InChIKey is UENOJNRCZFYWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2Si/c1-8(2,3)13(4,5)10(9)6-7(11)12/h6H2,1-5H3,(H,11,12).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid?
2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid has a molecular weight of 223.78 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid is sourced from PubChem (CID 86038791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).