[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid

C17H36N2O3Si — CID 67852615

IUPAC[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC(CN)[C@H](CC1CCCCC1)NC(=O)O
InChIInChI=1S/C17H36N2O3Si/c1-17(2,3)23(4,5)22-15(12-18)14(19-16(20)21)11-13-9-7-6-8-10-13/h13-15,19H,6-12,18H2,1-5H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyXPDJPGAZPXKOGH-MLCCFXAWSA-N
MW344.57 g/mol
LogP3.94
Rot. Bonds7

About [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid

[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid (PubChem CID 67852615) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
PubChem CID67852615
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC(CN)[C@H](CC1CCCCC1)NC(=O)O
InChIInChI=1S/C17H36N2O3Si/c1-17(2,3)23(4,5)22-15(12-18)14(19-16(20)21)11-13-9-7-6-8-10-13/h13-15,19H,6-12,18H2,1-5H3,(H,20,21)/t14-,15?/m0/s1
InChIKeyXPDJPGAZPXKOGH-MLCCFXAWSA-N
XLogP3.94
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexylhex-4-enoate
CID 57108378
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
CID 68709377
(2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide
CID 18655448
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
tert-butyl N-[(2S,4S,5S)-5-amino-4-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-propan-2-ylhexanoyl]-N-methylcarbamate
CID 70350035
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
[3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]carbamic acid
CID 19837941
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid (CID 67852615) is [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)OC(CN)[C@H](CC1CCCCC1)NC(=O)O.
What is the InChIKey of [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid?
The InChIKey is XPDJPGAZPXKOGH-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-17(2,3)23(4,5)22-15(12-18)14(19-16(20)21)11-13-9-7-6-8-10-13/h13-15,19H,6-12,18H2,1-5H3,(H,20,21)/t14-,15?/m0/s1.
What are the key properties of [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid?
[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid has a molecular weight of 344.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid is sourced from PubChem (CID 67852615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).