(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid

C10H21NO4Si — CID 156620019

IUPAC(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
SMILESCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO4Si/c1-5-8(9(12)13)11-10(14)15-6-7-16(2,3)4/h8H,5-7H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyLUQXCJFQXDBKGE-QMMMGPOBSA-N
MW247.37 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid

(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid (PubChem CID 156620019) has the molecular formula C10H21NO4Si and a molecular weight of 247.37 g/mol. Its IUPAC name is (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
PubChem CID156620019
Molecular FormulaC10H21NO4Si
Molecular Weight247.37 g/mol
Exact Mass247.12
IUPAC Name(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
SMILESCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO4Si/c1-5-8(9(12)13)11-10(14)15-6-7-16(2,3)4/h8H,5-7H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyLUQXCJFQXDBKGE-QMMMGPOBSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic 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

(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
CID 162340818
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
2-(propoxycarbonylamino)butanedioic acid
CID 142164460
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
3-amino-2-(propoxycarbonylamino)propanoic acid
CID 54022488
2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
CID 123214933
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-2-(2-carbamoyloxyethylcarbamoylamino)butanoic acid
CID 83205276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid?
The IUPAC name of (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid (CID 156620019) is (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid is CC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid?
The InChIKey is LUQXCJFQXDBKGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO4Si/c1-5-8(9(12)13)11-10(14)15-6-7-16(2,3)4/h8H,5-7H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid?
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid has a molecular weight of 247.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 156620019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).