[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid

C13H18BN5O5 — CID 174092333

IUPAC[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=CNNc1ccc(C(=O)NCC(=O)N2CCC[C@H]2B(O)O)cn1
InChIInChI=1S/C13H18BN5O5/c20-8-17-18-11-4-3-9(6-15-11)13(22)16-7-12(21)19-5-1-2-10(19)14(23)24/h3-4,6,8,10,23-24H,1-2,5,7H2,(H,15,18)(H,16,22)(H,17,20)/t10-/m0/s1
InChIKeyCYRZKSYOSKZIAX-JTQLQIEISA-N
MW335.13 g/mol
LogP-2.11
Rot. Bonds7

About [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 174092333) has the molecular formula C13H18BN5O5 and a molecular weight of 335.13 g/mol. Its IUPAC name is [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID174092333
Molecular FormulaC13H18BN5O5
Molecular Weight335.13 g/mol
Exact Mass335.14
IUPAC Name[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=CNNc1ccc(C(=O)NCC(=O)N2CCC[C@H]2B(O)O)cn1
InChIInChI=1S/C13H18BN5O5/c20-8-17-18-11-4-3-9(6-15-11)13(22)16-7-12(21)19-5-1-2-10(19)14(23)24/h3-4,6,8,10,23-24H,1-2,5,7H2,(H,15,18)(H,16,22)(H,17,20)/t10-/m0/s1
InChIKeyCYRZKSYOSKZIAX-JTQLQIEISA-N
XLogP-2.11
TPSA143.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 5-2.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 71655265
[1-[2-[(4-fluorosulfinylbenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 178032780
[1-[2-[(2-chloro-5-iodobenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 45256851
[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
CID 175526481
2-[2-[[2-[[2-[2-[4-[[2-[(2R)-2-boronopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]phenyl]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-ethylamino]ethyl-ethylamino]acetic acid
CID 174092245
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid (CID 174092333) is [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid is O=CNNc1ccc(C(=O)NCC(=O)N2CCC[C@H]2B(O)O)cn1.
What is the InChIKey of [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is CYRZKSYOSKZIAX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18BN5O5/c20-8-17-18-11-4-3-9(6-15-11)13(22)16-7-12(21)19-5-1-2-10(19)14(23)24/h3-4,6,8,10,23-24H,1-2,5,7H2,(H,15,18)(H,16,22)(H,17,20)/t10-/m0/s1.
What are the key properties of [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 335.13 g/mol, XLogP of -2.11, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 174092333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).