2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid

C11H19NO8Si — CID 123214933

IUPAC2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
SMILESC[Si](C)(C)CCOC(=O)NCC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO8Si/c1-21(2,3)5-4-20-10(19)12-6-11(7(13)14,8(15)16)9(17)18/h4-6H2,1-3H3,(H,12,19)(H,13,14)(H,15,16)(H,17,18)
InChIKeyAAYBTQNRNFWYJU-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.29
Rot. Bonds8

About 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid

2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid (PubChem CID 123214933) has the molecular formula C11H19NO8Si and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid.

Molecular Properties

Compound Name2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
PubChem CID123214933
Molecular FormulaC11H19NO8Si
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
SMILESC[Si](C)(C)CCOC(=O)NCC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C11H19NO8Si/c1-21(2,3)5-4-20-10(19)12-6-11(7(13)14,8(15)16)9(17)18/h4-6H2,1-3H3,(H,12,19)(H,13,14)(H,15,16)(H,17,18)
InChIKeyAAYBTQNRNFWYJU-UHFFFAOYSA-N
XLogP0.29
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate
CID 10693954
(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
CID 162340818
2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate
CID 174027277
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid?
The IUPAC name of 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid (CID 123214933) is 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid.
What is the SMILES notation for 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid?
The canonical SMILES for 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid is C[Si](C)(C)CCOC(=O)NCC(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid?
The InChIKey is AAYBTQNRNFWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO8Si/c1-21(2,3)5-4-20-10(19)12-6-11(7(13)14,8(15)16)9(17)18/h4-6H2,1-3H3,(H,12,19)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid?
2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid is sourced from PubChem (CID 123214933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).