N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide

C22H31N3O5Si — CID 140825212

IUPACN-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(N)C(=O)C1CC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C22H31N3O5Si/c1-13(30-31(5,6)22(2,3)4)18(26)25(23)19(27)14-11-15(12-14)24-20(28)16-9-7-8-10-17(16)21(24)29/h7-10,13-15H,11-12,23H2,1-6H3/t13-,14?,15?/m1/s1
InChIKeyUSQBTFHHNWCNGA-WLYUNCDWSA-N
MW445.59 g/mol
LogP2.70
Rot. Bonds5

About N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide

N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide (PubChem CID 140825212) has the molecular formula C22H31N3O5Si and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound NameN-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide
PubChem CID140825212
Molecular FormulaC22H31N3O5Si
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(N)C(=O)C1CC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C22H31N3O5Si/c1-13(30-31(5,6)22(2,3)4)18(26)25(23)19(27)14-11-15(12-14)24-20(28)16-9-7-8-10-17(16)21(24)29/h7-10,13-15H,11-12,23H2,1-6H3/t13-,14?,15?/m1/s1
InChIKeyUSQBTFHHNWCNGA-WLYUNCDWSA-N
XLogP2.70
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide?
The IUPAC name of N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide (CID 140825212) is N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide?
The canonical SMILES for N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide is C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(N)C(=O)C1CC(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide?
The InChIKey is USQBTFHHNWCNGA-WLYUNCDWSA-N. The full InChI is InChI=1S/C22H31N3O5Si/c1-13(30-31(5,6)22(2,3)4)18(26)25(23)19(27)14-11-15(12-14)24-20(28)16-9-7-8-10-17(16)21(24)29/h7-10,13-15H,11-12,23H2,1-6H3/t13-,14?,15?/m1/s1.
What are the key properties of N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide?
N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide has a molecular weight of 445.59 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-3-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 140825212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).