4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid

C14H31NO3Si2 — CID 175508518

IUPAC4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid
SMILESCC(C=CC(=O)O)N(C(C)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H31NO3Si2/c1-12(9-10-14(16)17)15(19(3,4)5)13(2)11-18-20(6,7)8/h9-10,12-13H,11H2,1-8H3,(H,16,17)
InChIKeySKOFAQZKKWJLSW-UHFFFAOYSA-N
MW317.58 g/mol
LogP3.39
Rot. Bonds8

About 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid

4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid (PubChem CID 175508518) has the molecular formula C14H31NO3Si2 and a molecular weight of 317.58 g/mol. Its IUPAC name is 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid.

Molecular Properties

Compound Name4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid
PubChem CID175508518
Molecular FormulaC14H31NO3Si2
Molecular Weight317.58 g/mol
Exact Mass317.18
IUPAC Name4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid
SMILESCC(C=CC(=O)O)N(C(C)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H31NO3Si2/c1-12(9-10-14(16)17)15(19(3,4)5)13(2)11-18-20(6,7)8/h9-10,12-13H,11H2,1-8H3,(H,16,17)
InChIKeySKOFAQZKKWJLSW-UHFFFAOYSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[methyl(propan-2-yl)amino]pent-2-enoic acid
CID 87178682
2-methyl-3-trimethylsilyloxypropanal
CID 75300382
4-ethylhepta-2,5-dienedioic acid
CID 54361689
5-ethoxy-4-methyl-5-oxopent-2-enoic acid
CID 54460089
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
CID 91252711
(E)-4-ethylhex-2-enoic acid;methane
CID 159220679
(E)-4-aminohept-2-enoic acid
CID 116940801
4-(dimethylamino)hex-2-enoic acid
CID 173288981
(E,5S)-5-(diethylamino)hex-3-en-2-one
CID 177230850
(E)-4-fluoropent-2-enoic acid
CID 87509994
(E)-4-methylhex-2-enedioic acid
CID 102597366
(E)-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobut-2-enoic acid
CID 55028528

Frequently Asked Questions

What is the IUPAC name of 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid?
The IUPAC name of 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid (CID 175508518) is 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid.
What is the SMILES notation for 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid?
The canonical SMILES for 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid is CC(C=CC(=O)O)N(C(C)CO[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid?
The InChIKey is SKOFAQZKKWJLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3Si2/c1-12(9-10-14(16)17)15(19(3,4)5)13(2)11-18-20(6,7)8/h9-10,12-13H,11H2,1-8H3,(H,16,17).
What are the key properties of 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid?
4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid has a molecular weight of 317.58 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[trimethylsilyl(1-trimethylsilyloxypropan-2-yl)amino]pent-2-enoic acid is sourced from PubChem (CID 175508518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).