3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate

C13H29NO2Si — CID 3041812

IUPAC3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate
SMILESCC(C)CCOC(=O)[C@@H](N)CCC[Si](C)(C)C
InChIInChI=1S/C13H29NO2Si/c1-11(2)8-9-16-13(15)12(14)7-6-10-17(3,4)5/h11-12H,6-10,14H2,1-5H3/t12-/m0/s1
InChIKeyODMREWRHJVSETB-LBPRGKRZSA-N
MW259.47 g/mol
LogP3.02
Rot. Bonds8

About 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate

3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate (PubChem CID 3041812) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate.

Molecular Properties

Compound Name3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate
PubChem CID3041812
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate
SMILESCC(C)CCOC(=O)[C@@H](N)CCC[Si](C)(C)C
InChIInChI=1S/C13H29NO2Si/c1-11(2)8-9-16-13(15)12(14)7-6-10-17(3,4)5/h11-12H,6-10,14H2,1-5H3/t12-/m0/s1
InChIKeyODMREWRHJVSETB-LBPRGKRZSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl 2,6-diaminohexanoate
CID 142497422
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
4-methylpentyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61302105
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
(2R,3R)-2,3-dihydroxy-4-(3-methylbutoxy)-4-oxobutanoic acid
CID 141434844
16-methylheptadecyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 88622892
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
hexadecyl (2S)-2-aminohexanoate
CID 10808138
dodecyl 2-aminododecanoate
CID 175586127
3-methylbutyl 3-methyl-2-sulfanylbutanoate
CID 107018436
3-methylbutyl 2-hydroxybutanoate
CID 14923813

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate?
The IUPAC name of 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate (CID 3041812) is 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate.
What is the SMILES notation for 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate?
The canonical SMILES for 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate is CC(C)CCOC(=O)[C@@H](N)CCC[Si](C)(C)C.
What is the InChIKey of 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate?
The InChIKey is ODMREWRHJVSETB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-11(2)8-9-16-13(15)12(14)7-6-10-17(3,4)5/h11-12H,6-10,14H2,1-5H3/t12-/m0/s1.
What are the key properties of 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate?
3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate has a molecular weight of 259.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate is sourced from PubChem (CID 3041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).