methyl 3-amino-5-trimethylsilylpent-4-ynoate

C9H17NO2Si — CID 18784307

IUPACmethyl 3-amino-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CC(N)C#C[Si](C)(C)C
InChIInChI=1S/C9H17NO2Si/c1-12-9(11)7-8(10)5-6-13(2,3)4/h8H,7,10H2,1-4H3
InChIKeyMMBMDFCAOJJSJX-UHFFFAOYSA-N
MW199.33 g/mol
LogP0.76
Rot. Bonds2

About methyl 3-amino-5-trimethylsilylpent-4-ynoate

methyl 3-amino-5-trimethylsilylpent-4-ynoate (PubChem CID 18784307) has the molecular formula C9H17NO2Si and a molecular weight of 199.33 g/mol. Its IUPAC name is methyl 3-amino-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl 3-amino-5-trimethylsilylpent-4-ynoate
PubChem CID18784307
Molecular FormulaC9H17NO2Si
Molecular Weight199.33 g/mol
Exact Mass199.10
IUPAC Namemethyl 3-amino-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)CC(N)C#C[Si](C)(C)C
InChIInChI=1S/C9H17NO2Si/c1-12-9(11)7-8(10)5-6-13(2,3)4/h8H,7,10H2,1-4H3
InChIKeyMMBMDFCAOJJSJX-UHFFFAOYSA-N
XLogP0.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-amino-5-trimethylsilylpent-4-ynoate 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

(4R)-4-amino-6-trimethylsilylhex-5-yn-2-one
CID 59952392
methyl (3S)-3-propan-2-yl-5-trimethylsilylpent-4-ynoate
CID 10868013
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 3-naphthalen-1-yl-5-trimethylsilylpent-4-ynoate
CID 164669647
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
methyl 3-amino-3-chloropropanoate;hydrochloride
CID 119095933
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
CID 59945611
CID 59945611

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl 3-amino-5-trimethylsilylpent-4-ynoate (CID 18784307) is methyl 3-amino-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl 3-amino-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl 3-amino-5-trimethylsilylpent-4-ynoate is COC(=O)CC(N)C#C[Si](C)(C)C.
What is the InChIKey of methyl 3-amino-5-trimethylsilylpent-4-ynoate?
The InChIKey is MMBMDFCAOJJSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2Si/c1-12-9(11)7-8(10)5-6-13(2,3)4/h8H,7,10H2,1-4H3.
What are the key properties of methyl 3-amino-5-trimethylsilylpent-4-ynoate?
methyl 3-amino-5-trimethylsilylpent-4-ynoate has a molecular weight of 199.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 18784307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).