(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

C12H21BN2O4 — CID 132560139

IUPAC(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESC/C=C\CB1O[C@@H](C(=O)N(C)C)[C@H](C(=O)N(C)C)O1
InChIInChI=1S/C12H21BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h6-7,9-10H,8H2,1-5H3/b7-6-/t9-,10-/m1/s1
InChIKeyGVRUVEBATBJCNW-ITMFEAPISA-N
MW268.12 g/mol
LogP0.01
Rot. Bonds4

About (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide (PubChem CID 132560139) has the molecular formula C12H21BN2O4 and a molecular weight of 268.12 g/mol. Its IUPAC name is (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
PubChem CID132560139
Molecular FormulaC12H21BN2O4
Molecular Weight268.12 g/mol
Exact Mass268.16
IUPAC Name(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESC/C=C\CB1O[C@@H](C(=O)N(C)C)[C@H](C(=O)N(C)C)O1
InChIInChI=1S/C12H21BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h6-7,9-10H,8H2,1-5H3/b7-6-/t9-,10-/m1/s1
InChIKeyGVRUVEBATBJCNW-ITMFEAPISA-N
XLogP0.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide (CID 132560139) is (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide is C/C=C\CB1O[C@@H](C(=O)N(C)C)[C@H](C(=O)N(C)C)O1.
What is the InChIKey of (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The InChIKey is GVRUVEBATBJCNW-ITMFEAPISA-N. The full InChI is InChI=1S/C12H21BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h6-7,9-10H,8H2,1-5H3/b7-6-/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
(4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide has a molecular weight of 268.12 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(Z)-but-2-enyl]-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide is sourced from PubChem (CID 132560139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).