2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid

C18H25NO2Si — CID 154487989

IUPAC2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid
SMILESC[Si](C)(C)CCN(CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C18H25NO2Si/c1-22(2,3)12-11-19(14-18(20)21)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,11-14H2,1-3H3,(H,20,21)
InChIKeyKAQHBCWLFSSIGT-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.06
Rot. Bonds7

About 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid

2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid (PubChem CID 154487989) has the molecular formula C18H25NO2Si and a molecular weight of 315.49 g/mol. Its IUPAC name is 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid
PubChem CID154487989
Molecular FormulaC18H25NO2Si
Molecular Weight315.49 g/mol
Exact Mass315.17
IUPAC Name2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid
SMILESC[Si](C)(C)CCN(CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C18H25NO2Si/c1-22(2,3)12-11-19(14-18(20)21)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,11-14H2,1-3H3,(H,20,21)
InChIKeyKAQHBCWLFSSIGT-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid?
The IUPAC name of 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid (CID 154487989) is 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid.
What is the SMILES notation for 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid?
The canonical SMILES for 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid is C[Si](C)(C)CCN(CC(=O)O)Cc1cccc2ccccc12.
What is the InChIKey of 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid?
The InChIKey is KAQHBCWLFSSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2Si/c1-22(2,3)12-11-19(14-18(20)21)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,11-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid?
2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid has a molecular weight of 315.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-1-ylmethyl(2-trimethylsilylethyl)amino]acetic acid is sourced from PubChem (CID 154487989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).