2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate

C19H32N2O4Si — CID 20626808

IUPAC2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)CCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H32N2O4Si/c1-26(2,3)14-13-24-18(22)17(20)11-7-8-12-21-19(23)25-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15,20H2,1-3H3,(H,21,23)
InChIKeyKXAYBQDUNABEJR-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.29
Rot. Bonds11

About 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate

2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate (PubChem CID 20626808) has the molecular formula C19H32N2O4Si and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
PubChem CID20626808
Molecular FormulaC19H32N2O4Si
Molecular Weight380.56 g/mol
Exact Mass380.21
IUPAC Name2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)CCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H32N2O4Si/c1-26(2,3)14-13-24-18(22)17(20)11-7-8-12-21-19(23)25-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15,20H2,1-3H3,(H,21,23)
InChIKeyKXAYBQDUNABEJR-UHFFFAOYSA-N
XLogP3.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
2-methylpropyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 154988305
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
phenacyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 70089794
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
6-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid
CID 155369198
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486
methyl (2S)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 11991078
benzyl N-(6-methylheptyl)carbamate
CID 59918495

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate?
The IUPAC name of 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate (CID 20626808) is 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate is C[Si](C)(C)CCOC(=O)C(N)CCCCNC(=O)OCc1ccccc1.
What is the InChIKey of 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate?
The InChIKey is KXAYBQDUNABEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4Si/c1-26(2,3)14-13-24-18(22)17(20)11-7-8-12-21-19(23)25-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15,20H2,1-3H3,(H,21,23).
What are the key properties of 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate?
2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate has a molecular weight of 380.56 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 20626808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).