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

C21H37NO4Si — CID 66681717

IUPACbenzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)N(Cc1ccccc1)C(=O)O)(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,24,25)/t18-,20+/m1/s1
InChIKeyPRIRLZKAKNXDOG-QUCCMNQESA-N
MW395.62 g/mol
LogP5.11
Rot. Bonds10

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

benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid (PubChem CID 66681717) has the molecular formula C21H37NO4Si and a molecular weight of 395.62 g/mol. Its IUPAC name is benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid
PubChem CID66681717
Molecular FormulaC21H37NO4Si
Molecular Weight395.62 g/mol
Exact Mass395.25
IUPAC Namebenzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)N(Cc1ccccc1)C(=O)O)(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,24,25)/t18-,20+/m1/s1
InChIKeyPRIRLZKAKNXDOG-QUCCMNQESA-N
XLogP5.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid (CID 66681717) is benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid is CC(C)[Si](OC[C@H](O)[C@@H](C)N(Cc1ccccc1)C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?
The InChIKey is PRIRLZKAKNXDOG-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,24,25)/t18-,20+/m1/s1.
What are the key properties of benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid?
benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid has a molecular weight of 395.62 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamic acid is sourced from PubChem (CID 66681717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).