[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid

C13H20BN5O4 — CID 175526481

IUPAC[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C13H20BN5O4/c1-8(13(21)19-6-2-3-10(19)14(22)23)17-12(20)9-4-5-11(18-15)16-7-9/h4-5,7-8,10,22-23H,2-3,6,15H2,1H3,(H,16,18)(H,17,20)/t8?,10-/m0/s1
InChIKeyBKGIAHIXDJMMGL-HTLJXXAVSA-N
MW321.15 g/mol
LogP-1.51
Rot. Bonds5

About [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 175526481) has the molecular formula C13H20BN5O4 and a molecular weight of 321.15 g/mol. Its IUPAC name is [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID175526481
Molecular FormulaC13H20BN5O4
Molecular Weight321.15 g/mol
Exact Mass321.16
IUPAC Name[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC(NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C13H20BN5O4/c1-8(13(21)19-6-2-3-10(19)14(22)23)17-12(20)9-4-5-11(18-15)16-7-9/h4-5,7-8,10,22-23H,2-3,6,15H2,1H3,(H,16,18)(H,17,20)/t8?,10-/m0/s1
InChIKeyBKGIAHIXDJMMGL-HTLJXXAVSA-N
XLogP-1.51
TPSA140.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1-[2-(pyridine-4-carbonylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 78139880
6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide
CID 169445687
6-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 62249334
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381
6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247178
[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 174092333
[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11368811
[(2R)-1-[(2R)-2-[[6-[[4-(2,2-difluoro-4,6,10,12-tetramethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-8-yl)-2-oxobutyl]amino]pyridine-3-carbonyl]amino]propanoyl]pyrrolidin-2-yl]-methylborinic acid
CID 172878942
2-[4-[2-[3-[4-[[(2R)-1-[(2R)-2-boronopyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]phenyl]propylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 174091714
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid (CID 175526481) is [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid is CC(NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is BKGIAHIXDJMMGL-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H20BN5O4/c1-8(13(21)19-6-2-3-10(19)14(22)23)17-12(20)9-4-5-11(18-15)16-7-9/h4-5,7-8,10,22-23H,2-3,6,15H2,1H3,(H,16,18)(H,17,20)/t8?,10-/m0/s1.
What are the key properties of [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 321.15 g/mol, XLogP of -1.51, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 175526481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).