benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate

C21H37NO4Si — CID 123232862

IUPACbenzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)NC(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO4Si/c1-15(2)27(16(3)4,17(5)6)26-14-20(23)18(7)22-21(24)25-13-19-11-9-8-10-12-19/h8-12,15-18,20,23H,13-14H2,1-7H3,(H,22,24)/t18-,20+/m1/s1
InChIKeyQCMFNZCTHQYABJ-QUCCMNQESA-N
MW395.62 g/mol
LogP4.85
Rot. Bonds10

About benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate

benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (PubChem CID 123232862) has the molecular formula C21H37NO4Si and a molecular weight of 395.62 g/mol. Its IUPAC name is benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
PubChem CID123232862
Molecular FormulaC21H37NO4Si
Molecular Weight395.62 g/mol
Exact Mass395.25
IUPAC Namebenzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)NC(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO4Si/c1-15(2)27(16(3)4,17(5)6)26-14-20(23)18(7)22-21(24)25-13-19-11-9-8-10-12-19/h8-12,15-18,20,23H,13-14H2,1-7H3,(H,22,24)/t18-,20+/m1/s1
InChIKeyQCMFNZCTHQYABJ-QUCCMNQESA-N
XLogP4.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
CID 10089317
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
methyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate
CID 10804650
benzyl N-[(1R,2S)-1-hydroxy-1-pyridin-4-ylpropan-2-yl]carbamate
CID 86630532
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 67105648

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate (CID 123232862) is benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is CC(C)[Si](OC[C@H](O)[C@@H](C)NC(=O)OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
The InChIKey is QCMFNZCTHQYABJ-QUCCMNQESA-N. The full InChI is InChI=1S/C21H37NO4Si/c1-15(2)27(16(3)4,17(5)6)26-14-20(23)18(7)22-21(24)25-13-19-11-9-8-10-12-19/h8-12,15-18,20,23H,13-14H2,1-7H3,(H,22,24)/t18-,20+/m1/s1.
What are the key properties of benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate?
benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate has a molecular weight of 395.62 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate is sourced from PubChem (CID 123232862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).