(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid

C14H29NO4Si — CID 162340818

IUPAC(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
SMILESCCCCCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO4Si/c1-5-6-7-8-9-12(13(16)17)15-14(18)19-10-11-20(2,3)4/h12H,5-11H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyVOICYURRDKXVGY-LBPRGKRZSA-N
MW303.48 g/mol
LogP3.47
Rot. Bonds10

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

(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid (PubChem CID 162340818) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
PubChem CID162340818
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Name(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
SMILESCCCCCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO4Si/c1-5-6-7-8-9-12(13(16)17)15-14(18)19-10-11-20(2,3)4/h12H,5-11H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyVOICYURRDKXVGY-LBPRGKRZSA-N
XLogP3.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
6-amino-2-[(6-methyl-5-nonyltetradecoxy)carbonylamino]hexanoic acid
CID 175393915
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
2-acetamidotetracosanoic acid
CID 13224380
(2S)-2-(butoxycarbonylamino)-4-methylsulfanylbutanoic acid
CID 54317613
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
2-trimethylsilylethyl N-butylcarbamate
CID 102394632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid?
The IUPAC name of (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid (CID 162340818) is (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid.
What is the SMILES notation for (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid?
The canonical SMILES for (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid is CCCCCC[C@H](NC(=O)OCC[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid?
The InChIKey is VOICYURRDKXVGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-5-6-7-8-9-12(13(16)17)15-14(18)19-10-11-20(2,3)4/h12H,5-11H2,1-4H3,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid?
(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid has a molecular weight of 303.48 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid is sourced from PubChem (CID 162340818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).