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

C12H21BN2O4 — CID 162471220

IUPAC4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESC[C@@H]1C[C@H]1B1OC(C(=O)N(C)C)C(C(=O)N(C)C)O1
InChIInChI=1S/C12H21BN2O4/c1-7-6-8(7)13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h7-10H,6H2,1-5H3/t7-,8-,9?,10?/m1/s1
InChIKeyWPKCRLJGWYUDNX-LGUIWLBCSA-N
MW268.12 g/mol
LogP-0.16
Rot. Bonds3

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

4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide (PubChem CID 162471220) has the molecular formula C12H21BN2O4 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide
PubChem CID162471220
Molecular FormulaC12H21BN2O4
Molecular Weight268.12 g/mol
Exact Mass268.16
IUPAC Name4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESC[C@@H]1C[C@H]1B1OC(C(=O)N(C)C)C(C(=O)N(C)C)O1
InChIInChI=1S/C12H21BN2O4/c1-7-6-8(7)13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h7-10H,6H2,1-5H3/t7-,8-,9?,10?/m1/s1
InChIKeyWPKCRLJGWYUDNX-LGUIWLBCSA-N
XLogP-0.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide?
The IUPAC name of 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide (CID 162471220) is 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide.
What is the SMILES notation for 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide?
The canonical SMILES for 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide is C[C@@H]1C[C@H]1B1OC(C(=O)N(C)C)C(C(=O)N(C)C)O1.
What is the InChIKey of 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide?
The InChIKey is WPKCRLJGWYUDNX-LGUIWLBCSA-N. The full InChI is InChI=1S/C12H21BN2O4/c1-7-6-8(7)13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h7-10H,6H2,1-5H3/t7-,8-,9?,10?/m1/s1.
What are the key properties of 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide?
4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide has a molecular weight of 268.12 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide is sourced from PubChem (CID 162471220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).