2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid

C12H23NO4Si — CID 131715956

IUPAC2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC(=O)C=CCNCC(=O)O
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)18(4,5)17-11(16)7-6-8-13-9-10(14)15/h6-7,13H,8-9H2,1-5H3,(H,14,15)
InChIKeyASVWHEDFRWESCR-UHFFFAOYSA-N
MW273.41 g/mol
LogP1.77
Rot. Bonds6

About 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid

2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid (PubChem CID 131715956) has the molecular formula C12H23NO4Si and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid
PubChem CID131715956
Molecular FormulaC12H23NO4Si
Molecular Weight273.41 g/mol
Exact Mass273.14
IUPAC Name2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid
SMILESCC(C)(C)[Si](C)(C)OC(=O)C=CCNCC(=O)O
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)18(4,5)17-11(16)7-6-8-13-9-10(14)15/h6-7,13H,8-9H2,1-5H3,(H,14,15)
InChIKeyASVWHEDFRWESCR-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
CID 11087474
methyl (2Z,4E)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 10925703
bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
prop-2-enyl 4-[(2-methoxy-2-oxoethyl)amino]but-2-enoate
CID 131715957
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
(E)-4-[(2-ethoxy-2-oxoethyl)amino]but-2-enoic acid
CID 103239568

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid?
The IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid (CID 131715956) is 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid is CC(C)(C)[Si](C)(C)OC(=O)C=CCNCC(=O)O.
What is the InChIKey of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid?
The InChIKey is ASVWHEDFRWESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-12(2,3)18(4,5)17-11(16)7-6-8-13-9-10(14)15/h6-7,13H,8-9H2,1-5H3,(H,14,15).
What are the key properties of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid?
2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid has a molecular weight of 273.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid is sourced from PubChem (CID 131715956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).