[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium

C18H35N4O4Si+ — CID 90279740

IUPAC[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=N)C2CC2)N1C(=O)O
InChIInChI=1S/C18H34N4O4Si/c1-17(2,3)27(6,7)26-15(13(10-20-21-19)12-8-9-12)14-11-25-18(4,5)22(14)16(23)24/h12-15,19H,8-11H2,1-7H3/p+1/t13-,14-,15-/m1/s1
InChIKeyVQYOIYMOGCQBDC-RBSFLKMASA-O
MW399.59 g/mol
LogP4.07
Rot. Bonds7

About [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium

[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium (PubChem CID 90279740) has the molecular formula C18H35N4O4Si+ and a molecular weight of 399.59 g/mol. Its IUPAC name is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium.

Molecular Properties

Compound Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium
PubChem CID90279740
Molecular FormulaC18H35N4O4Si+
Molecular Weight399.59 g/mol
Exact Mass399.24
IUPAC Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=N)C2CC2)N1C(=O)O
InChIInChI=1S/C18H34N4O4Si/c1-17(2,3)27(6,7)26-15(13(10-20-21-19)12-8-9-12)14-11-25-18(4,5)22(14)16(23)24/h12-15,19H,8-11H2,1-7H3/p+1/t13-,14-,15-/m1/s1
InChIKeyVQYOIYMOGCQBDC-RBSFLKMASA-O
XLogP4.07
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium?
The IUPAC name of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium (CID 90279740) is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium.
What is the SMILES notation for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium?
The canonical SMILES for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium is CC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=N)C2CC2)N1C(=O)O.
What is the InChIKey of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium?
The InChIKey is VQYOIYMOGCQBDC-RBSFLKMASA-O. The full InChI is InChI=1S/C18H34N4O4Si/c1-17(2,3)27(6,7)26-15(13(10-20-21-19)12-8-9-12)14-11-25-18(4,5)22(14)16(23)24/h12-15,19H,8-11H2,1-7H3/p+1/t13-,14-,15-/m1/s1.
What are the key properties of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium?
[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium has a molecular weight of 399.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-3-carboxy-2,2-dimethyl-1,3-oxazolidin-4-yl]-2-cyclopropylpropyl]imino-iminoazanium is sourced from PubChem (CID 90279740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).