[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

C16H32N2O5Si — CID 150950149

IUPAC[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESC=C(C)C(CO[Si](C)(C)C(C)(C)C)N(CC(=O)N(C)OC)C(=O)O
InChIInChI=1S/C16H32N2O5Si/c1-12(2)13(11-23-24(8,9)16(3,4)5)18(15(20)21)10-14(19)17(6)22-7/h13H,1,10-11H2,2-9H3,(H,20,21)
InChIKeyLJXOBCMVBAXDIN-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.95
Rot. Bonds8

About [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (PubChem CID 150950149) has the molecular formula C16H32N2O5Si and a molecular weight of 360.53 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
PubChem CID150950149
Molecular FormulaC16H32N2O5Si
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC Name[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESC=C(C)C(CO[Si](C)(C)C(C)(C)C)N(CC(=O)N(C)OC)C(=O)O
InChIInChI=1S/C16H32N2O5Si/c1-12(2)13(11-23-24(8,9)16(3,4)5)18(15(20)21)10-14(19)17(6)22-7/h13H,1,10-11H2,2-9H3,(H,20,21)
InChIKeyLJXOBCMVBAXDIN-UHFFFAOYSA-N
XLogP2.95
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 151226329
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59656752
tert-butyl N-[(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-N-(2-oxopent-3-enyl)carbamate
CID 131735301
tert-butyl N-[(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-N-[(E)-2-oxopent-3-enyl]carbamate
CID 131735302
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
2,2-dimethylpropyl-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 118599467
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (CID 150950149) is [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is C=C(C)C(CO[Si](C)(C)C(C)(C)C)N(CC(=O)N(C)OC)C(=O)O.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The InChIKey is LJXOBCMVBAXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5Si/c1-12(2)13(11-23-24(8,9)16(3,4)5)18(15(20)21)10-14(19)17(6)22-7/h13H,1,10-11H2,2-9H3,(H,20,21).
What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid has a molecular weight of 360.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 150950149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).