[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid

C14H23BN2O4 — CID 163278196

IUPAC[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(B(O)O)ccn1
InChIInChI=1S/C14H23BN2O4/c1-6-17(13(18)21-14(3,4)5)10(2)12-9-11(15(19)20)7-8-16-12/h7-10,19-20H,6H2,1-5H3/t10-/m1/s1
InChIKeyISZQGLMXITZIOP-SNVBAGLBSA-N
MW294.16 g/mol
LogP1.08
Rot. Bonds4

About [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid

[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid (PubChem CID 163278196) has the molecular formula C14H23BN2O4 and a molecular weight of 294.16 g/mol. Its IUPAC name is [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
PubChem CID163278196
Molecular FormulaC14H23BN2O4
Molecular Weight294.16 g/mol
Exact Mass294.18
IUPAC Name[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(B(O)O)ccn1
InChIInChI=1S/C14H23BN2O4/c1-6-17(13(18)21-14(3,4)5)10(2)12-9-11(15(19)20)7-8-16-12/h7-10,19-20H,6H2,1-5H3/t10-/m1/s1
InChIKeyISZQGLMXITZIOP-SNVBAGLBSA-N
XLogP1.08
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
CID 163278312
[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpyrazol-3-yl)amino]-4-pyridinyl]boronic acid
CID 163480762
[2-(1-methoxyethyl)-4-pyridinyl]boronic acid
CID 174149066
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
[3-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]boronic acid
CID 150875180
[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]boronic acid
CID 66545386
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]-4-pyridinyl]boronic acid
CID 67328274
tert-butyl N-ethyl-N-[(1R)-1-[4-[8-[2-[6,6,6-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]ethoxy]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-pyridinyl]ethyl]carbamate
CID 163278279
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524
[4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]phenyl]boronic acid
CID 74889329
tert-butyl N-[(4-bromo-3-propan-2-yl-2-pyridinyl)methyl]-N-propan-2-ylcarbamate
CID 177314326

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid?
The IUPAC name of [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid (CID 163278196) is [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid?
The canonical SMILES for [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid is CCN(C(=O)OC(C)(C)C)[C@H](C)c1cc(B(O)O)ccn1.
What is the InChIKey of [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid?
The InChIKey is ISZQGLMXITZIOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23BN2O4/c1-6-17(13(18)21-14(3,4)5)10(2)12-9-11(15(19)20)7-8-16-12/h7-10,19-20H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid?
[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid has a molecular weight of 294.16 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid is sourced from PubChem (CID 163278196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).