2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate

C10H22N2O3Si — CID 174894859

IUPAC2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)CCC(N)=O
InChIInChI=1S/C10H22N2O3Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyLKXYKILJONOQKR-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.46
Rot. Bonds7

About 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate

2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate (PubChem CID 174894859) has the molecular formula C10H22N2O3Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
PubChem CID174894859
Molecular FormulaC10H22N2O3Si
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)CCC(N)=O
InChIInChI=1S/C10H22N2O3Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyLKXYKILJONOQKR-UHFFFAOYSA-N
XLogP0.46
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate 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

4-aminobutyl (2S)-2,5-diamino-5-oxopentanoate
CID 139681694
3-methylbutyl (2S)-2-amino-5-trimethylsilylpentanoate
CID 3041812
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
CID 88686252
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2-trimethylsilylethyl 2-amino-6-[[(E)-hexadec-8-enoyl]amino]hexanoate
CID 88536969
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
sulfo (2S)-2,5-diamino-5-oxopentanoate
CID 174388300
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate?
The IUPAC name of 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate (CID 174894859) is 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate?
The canonical SMILES for 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate is C[Si](C)(C)CCOC(=O)C(N)CCC(N)=O.
What is the InChIKey of 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate?
The InChIKey is LKXYKILJONOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13).
What are the key properties of 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate?
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate has a molecular weight of 246.38 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 174894859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).