tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate

C14H31N3O4Si — CID 153328579

IUPACtert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)NN
InChIInChI=1S/C14H31N3O4Si/c1-13(2,3)20-12(19)16-9-10(11(18)17-15)21-22(7,8)14(4,5)6/h10H,9,15H2,1-8H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyMSXKSRQYLPZIMB-JTQLQIEISA-N
MW333.51 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate

tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate (PubChem CID 153328579) has the molecular formula C14H31N3O4Si and a molecular weight of 333.51 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
PubChem CID153328579
Molecular FormulaC14H31N3O4Si
Molecular Weight333.51 g/mol
Exact Mass333.21
IUPAC Nametert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)NN
InChIInChI=1S/C14H31N3O4Si/c1-13(2,3)20-12(19)16-9-10(11(18)17-15)21-22(7,8)14(4,5)6/h10H,9,15H2,1-8H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyMSXKSRQYLPZIMB-JTQLQIEISA-N
XLogP1.89
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 155789476
2,2,2-trichloroethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11113362
tert-butyl N-[2-amino-2-[tert-butyl(dimethyl)silyl]oxyacetyl]carbamate
CID 139606123
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 140880816
tert-butyl N-[(2S)-3-[[(E)-3-amino-2-bromoprop-2-enylidene]amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 155642130
tert-butyl N-[3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhexanoyl]carbamate
CID 19817513
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 11725893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate (CID 153328579) is tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)NN.
What is the InChIKey of tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate?
The InChIKey is MSXKSRQYLPZIMB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H31N3O4Si/c1-13(2,3)20-12(19)16-9-10(11(18)17-15)21-22(7,8)14(4,5)6/h10H,9,15H2,1-8H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate?
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate has a molecular weight of 333.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate is sourced from PubChem (CID 153328579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).