benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate

C19H33NO3Si — CID 10089317

IUPACbenzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
SMILESCC(C)[Si](OC[C@H](N)C(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)23-13-18(20)19(21)22-12-17-10-8-7-9-11-17/h7-11,14-16,18H,12-13,20H2,1-6H3/t18-/m0/s1
InChIKeyRMVJGDLQVDWTEI-SFHVURJKSA-N
MW351.56 g/mol
LogP4.25
Rot. Bonds9

About benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate

benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate (PubChem CID 10089317) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
PubChem CID10089317
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Namebenzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
SMILESCC(C)[Si](OC[C@H](N)C(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)23-13-18(20)19(21)22-12-17-10-8-7-9-11-17/h7-11,14-16,18H,12-13,20H2,1-6H3/t18-/m0/s1
InChIKeyRMVJGDLQVDWTEI-SFHVURJKSA-N
XLogP4.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-amino-3-aminooxypropanoate;hydrochloride
CID 134125396
benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 123232862
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl 2-amino-4-iodobutanoate
CID 141050594
benzyl N-(2-bromoethyl)-N-[2-tri(propan-2-yl)silyloxyethyl]carbamate
CID 20740326
benzyl (7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-2-ynoate
CID 134845645
benzyl (2R)-2-amino-3-(methylamino)propanoate
CID 95383646
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate?
The IUPAC name of benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate (CID 10089317) is benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate.
What is the SMILES notation for benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate?
The canonical SMILES for benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate is CC(C)[Si](OC[C@H](N)C(=O)OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate?
The InChIKey is RMVJGDLQVDWTEI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-14(2)24(15(3)4,16(5)6)23-13-18(20)19(21)22-12-17-10-8-7-9-11-17/h7-11,14-16,18H,12-13,20H2,1-6H3/t18-/m0/s1.
What are the key properties of benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate?
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate has a molecular weight of 351.56 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate is sourced from PubChem (CID 10089317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).