2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid

C12H26N2O4Si — CID 87631740

IUPAC2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
SMILESC[Si](C)(C)CCOC(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C12H26N2O4Si/c1-19(2,3)9-8-18-12(17)14-7-5-4-6-10(13)11(15)16/h10H,4-9,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYVYXROIXKSKHQJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP1.63
Rot. Bonds9

About 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid

2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid (PubChem CID 87631740) has the molecular formula C12H26N2O4Si and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
PubChem CID87631740
Molecular FormulaC12H26N2O4Si
Molecular Weight290.44 g/mol
Exact Mass290.17
IUPAC Name2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
SMILESC[Si](C)(C)CCOC(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C12H26N2O4Si/c1-19(2,3)9-8-18-12(17)14-7-5-4-6-10(13)11(15)16/h10H,4-9,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYVYXROIXKSKHQJ-UHFFFAOYSA-N
XLogP1.63
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 20626808
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
2-amino-6-(6-nitrooxyhexoxycarbonylamino)hexanoic acid
CID 59287757
(2S)-2-amino-6-[2-(1,2,4,5-tetrazin-3-yl)ethoxycarbonylamino]hexanoic acid
CID 90111541
(2S)-2-amino-6-[(2-methylphenyl)methoxycarbonylamino]hexanoic acid
CID 122607486

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid (CID 87631740) is 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid is C[Si](C)(C)CCOC(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid?
The InChIKey is YVYXROIXKSKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4Si/c1-19(2,3)9-8-18-12(17)14-7-5-4-6-10(13)11(15)16/h10H,4-9,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid?
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid has a molecular weight of 290.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 87631740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).