(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid

C9H19NO3Si — CID 19764885

IUPAC(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
SMILESC[Si](C)(C)OCC/C=C/C(N)C(=O)O
InChIInChI=1S/C9H19NO3Si/c1-14(2,3)13-7-5-4-6-8(10)9(11)12/h4,6,8H,5,7,10H2,1-3H3,(H,11,12)/b6-4+
InChIKeyKNNUETFKWGFDBX-GQCTYLIASA-N
MW217.34 g/mol
LogP1.20
Rot. Bonds6

About (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid

(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid (PubChem CID 19764885) has the molecular formula C9H19NO3Si and a molecular weight of 217.34 g/mol. Its IUPAC name is (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
PubChem CID19764885
Molecular FormulaC9H19NO3Si
Molecular Weight217.34 g/mol
Exact Mass217.11
IUPAC Name(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
SMILESC[Si](C)(C)OCC/C=C/C(N)C(=O)O
InChIInChI=1S/C9H19NO3Si/c1-14(2,3)13-7-5-4-6-8(10)9(11)12/h4,6,8H,5,7,10H2,1-3H3,(H,11,12)/b6-4+
InChIKeyKNNUETFKWGFDBX-GQCTYLIASA-N
XLogP1.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 20576804
CID 20576804
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
(Z,2S)-2-amino-7-(1-aminoethylideneamino)hept-3-enoic acid;dihydrochloride
CID 172867749
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
4-(2-acetamidoethoxy)-2-aminobut-3-enoic acid
CID 54425820
(E)-2-amino-4-chlorobut-3-enoic acid
CID 130003035
2-amino-4-ethylsulfonylbut-3-enoic acid
CID 90872903
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
5-amino-4-oxoundec-6-enoic acid
CID 173122759

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid?
The IUPAC name of (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid (CID 19764885) is (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid.
What is the SMILES notation for (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid?
The canonical SMILES for (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid is C[Si](C)(C)OCC/C=C/C(N)C(=O)O.
What is the InChIKey of (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid?
The InChIKey is KNNUETFKWGFDBX-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19NO3Si/c1-14(2,3)13-7-5-4-6-8(10)9(11)12/h4,6,8H,5,7,10H2,1-3H3,(H,11,12)/b6-4+.
What are the key properties of (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid?
(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid has a molecular weight of 217.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid is sourced from PubChem (CID 19764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).