(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide

C17H25BN2O4 — CID 142556240

IUPAC(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)OB(c2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)OC1(C)C
InChIInChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)12-5-7-13(8-6-12)19-15(22)20-10-9-14(21)11-20/h5-8,14,21H,9-11H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyAZSMHQOQEQXIJH-CQSZACIVSA-N
MW332.21 g/mol
LogP1.58
Rot. Bonds2

About (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 142556240) has the molecular formula C17H25BN2O4 and a molecular weight of 332.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID142556240
Molecular FormulaC17H25BN2O4
Molecular Weight332.21 g/mol
Exact Mass332.19
IUPAC Name(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)OB(c2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)OC1(C)C
InChIInChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)12-5-7-13(8-6-12)19-15(22)20-10-9-14(21)11-20/h5-8,14,21H,9-11H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyAZSMHQOQEQXIJH-CQSZACIVSA-N
XLogP1.58
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 142556164
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 164886377
tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 10344222
(4-aminopiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 147547852
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea
CID 132608953
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 142556240) is (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide is CC1(C)OB(c2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)OC1(C)C.
What is the InChIKey of (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is AZSMHQOQEQXIJH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)12-5-7-13(8-6-12)19-15(22)20-10-9-14(21)11-20/h5-8,14,21H,9-11H2,1-4H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 332.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 142556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).