(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

C12H23BN2O4 — CID 10978509

IUPAC(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESCCCCB1O[C@H](C(=O)N(C)C)[C@@H](C(=O)N(C)C)O1
InChIInChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyAFQWQRBBIZKYTE-UWVGGRQHSA-N
MW270.14 g/mol
LogP0.24
Rot. Bonds5

About (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide (PubChem CID 10978509) has the molecular formula C12H23BN2O4 and a molecular weight of 270.14 g/mol. Its IUPAC name is (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
PubChem CID10978509
Molecular FormulaC12H23BN2O4
Molecular Weight270.14 g/mol
Exact Mass270.18
IUPAC Name(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILESCCCCB1O[C@H](C(=O)N(C)C)[C@@H](C(=O)N(C)C)O1
InChIInChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyAFQWQRBBIZKYTE-UWVGGRQHSA-N
XLogP0.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-2-butyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 102103508
(4S,5S)-2-butyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 58850473
(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide
CID 174086649
(4S,5S)-2-(butylamino)-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 140658602
(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
2-butyl-4,5-dimethyl-1,3,2-dioxaborolane
CID 13302905
(2S,3R)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide
CID 101005767
(2S,3S)-3-(1-hydroxytetradecyl)-N,N-dimethyloxirane-2-carboxamide
CID 101005763
4-N,4-N,5-N,5-N-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane-4,5-dicarboxamide
CID 162471220
4,9,14-trioctyl-3,5,8,10,13,15-hexaoxa-4,9,14-triboratetracyclo[9.4.0.02,6.07,12]pentadecane
CID 607155
2-butyl-6-methyl-1,3,2-dioxaborinan-4-one
CID 551048
(3aR,9aR)-2-butyl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxaborole
CID 6427281

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The IUPAC name of (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide (CID 10978509) is (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide.
What is the SMILES notation for (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The canonical SMILES for (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide is CCCCB1O[C@H](C(=O)N(C)C)[C@@H](C(=O)N(C)C)O1.
What is the InChIKey of (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
The InChIKey is AFQWQRBBIZKYTE-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide?
(4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide has a molecular weight of 270.14 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide is sourced from PubChem (CID 10978509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).