(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide

C14H22BN3O5 — CID 99867889

IUPAC(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide
SMILESCN(C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H22BN3O5/c1-13(2)14(3,4)23-15(22-13)9-6-16-12(17-7-9)18(5)11(21)10(20)8-19/h6-7,10,19-20H,8H2,1-5H3/t10-/m1/s1
InChIKeyJSEYVWCTLMAWKV-SNVBAGLBSA-N
MW323.16 g/mol
LogP-0.91
Rot. Bonds4

About (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide

(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide (PubChem CID 99867889) has the molecular formula C14H22BN3O5 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide
PubChem CID99867889
Molecular FormulaC14H22BN3O5
Molecular Weight323.16 g/mol
Exact Mass323.17
IUPAC Name(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide
SMILESCN(C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H22BN3O5/c1-13(2)14(3,4)23-15(22-13)9-6-16-12(17-7-9)18(5)11(21)10(20)8-19/h6-7,10,19-20H,8H2,1-5H3/t10-/m1/s1
InChIKeyJSEYVWCTLMAWKV-SNVBAGLBSA-N
XLogP-0.91
TPSA105.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide?
The IUPAC name of (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide (CID 99867889) is (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide.
What is the SMILES notation for (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide?
The canonical SMILES for (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide is CN(C(=O)[C@H](O)CO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide?
The InChIKey is JSEYVWCTLMAWKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22BN3O5/c1-13(2)14(3,4)23-15(22-13)9-6-16-12(17-7-9)18(5)11(21)10(20)8-19/h6-7,10,19-20H,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide?
(2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide has a molecular weight of 323.16 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dihydroxy-N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propanamide is sourced from PubChem (CID 99867889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).