ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate

C16H34N2O4Si — CID 174892013

IUPACethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate
SMILESCCOC(=O)[C@@](N)(CCCCNC(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H34N2O4Si/c1-8-21-13(19)16(17,23(5,6)7)11-9-10-12-18-14(20)22-15(2,3)4/h8-12,17H2,1-7H3,(H,18,20)/t16-/m1/s1
InChIKeyNMOSALFNBUVVCF-MRXNPFEDSA-N
MW346.54 g/mol
LogP2.82
Rot. Bonds8

About ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate

ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate (PubChem CID 174892013) has the molecular formula C16H34N2O4Si and a molecular weight of 346.54 g/mol. Its IUPAC name is ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate
PubChem CID174892013
Molecular FormulaC16H34N2O4Si
Molecular Weight346.54 g/mol
Exact Mass346.23
IUPAC Nameethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate
SMILESCCOC(=O)[C@@](N)(CCCCNC(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H34N2O4Si/c1-8-21-13(19)16(17,23(5,6)7)11-9-10-12-18-14(20)22-15(2,3)4/h8-12,17H2,1-7H3,(H,18,20)/t16-/m1/s1
InChIKeyNMOSALFNBUVVCF-MRXNPFEDSA-N
XLogP2.82
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.82
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

tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
CID 169146336
tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate
CID 123298664
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-butylcarbamate;methane
CID 153346289
ethyl 2-(2,3-diethoxy-3-oxopropoxy)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 54477505

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate?
The IUPAC name of ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate (CID 174892013) is ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate.
What is the SMILES notation for ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate?
The canonical SMILES for ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate is CCOC(=O)[C@@](N)(CCCCNC(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate?
The InChIKey is NMOSALFNBUVVCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34N2O4Si/c1-8-21-13(19)16(17,23(5,6)7)11-9-10-12-18-14(20)22-15(2,3)4/h8-12,17H2,1-7H3,(H,18,20)/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate?
ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate has a molecular weight of 346.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-trimethylsilylhexanoate is sourced from PubChem (CID 174892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).