2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate

C16H33NO3Si — CID 59061501

IUPAC2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
SMILESCCC[C@H](NC(=O)[C@@H](C)CCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-7-9-13(3)15(18)17-14(10-8-2)16(19)20-11-12-21(4,5)6/h13-14H,7-12H2,1-6H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyMHZCEZNHEPAVBW-KBPBESRZSA-N
MW315.53 g/mol
LogP3.59
Rot. Bonds10

About 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate

2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate (PubChem CID 59061501) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
PubChem CID59061501
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Name2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
SMILESCCC[C@H](NC(=O)[C@@H](C)CCC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-7-9-13(3)15(18)17-14(10-8-2)16(19)20-11-12-21(4,5)6/h13-14H,7-12H2,1-6H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyMHZCEZNHEPAVBW-KBPBESRZSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 53.59
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

methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-trimethylsilylethyl 2-[(2-amino-1-hydroxypentyl)amino]pentanoate
CID 23547164
2-methyl-N-propan-2-ylpentanamide
CID 4628268
methyl (2S)-2-[[(4S)-5-[[(2S)-1-[[(2R)-1-methoxy-1-oxopentan-2-yl]amino]-5-[[(2S)-1-methoxy-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-5-oxopentanoyl]amino]pentanoate
CID 59054841
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
2-methylpentanehydrazide
CID 43183484
4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate
CID 91726640
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate?
The IUPAC name of 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate (CID 59061501) is 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate.
What is the SMILES notation for 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate?
The canonical SMILES for 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate is CCC[C@H](NC(=O)[C@@H](C)CCC)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate?
The InChIKey is MHZCEZNHEPAVBW-KBPBESRZSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-7-9-13(3)15(18)17-14(10-8-2)16(19)20-11-12-21(4,5)6/h13-14H,7-12H2,1-6H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate?
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate has a molecular weight of 315.53 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate is sourced from PubChem (CID 59061501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).