[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid

C12H16BN3O4 — CID 71655265

IUPAC[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccncc1
InChIInChI=1S/C12H16BN3O4/c17-11(16-7-1-2-10(16)13(19)20)8-15-12(18)9-3-5-14-6-4-9/h3-6,10,19-20H,1-2,7-8H2,(H,15,18)/t10-/m0/s1
InChIKeyNFLFYUMFQNNIPE-JTQLQIEISA-N
MW277.09 g/mol
LogP-1.19
Rot. Bonds4

About [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 71655265) has the molecular formula C12H16BN3O4 and a molecular weight of 277.09 g/mol. Its IUPAC name is [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID71655265
Molecular FormulaC12H16BN3O4
Molecular Weight277.09 g/mol
Exact Mass277.12
IUPAC Name[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccncc1
InChIInChI=1S/C12H16BN3O4/c17-11(16-7-1-2-10(16)13(19)20)8-15-12(18)9-3-5-14-6-4-9/h3-6,10,19-20H,1-2,7-8H2,(H,15,18)/t10-/m0/s1
InChIKeyNFLFYUMFQNNIPE-JTQLQIEISA-N
XLogP-1.19
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[(4-fluorosulfinylbenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 178032780
[1-[2-(pyridine-4-carbonylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 78139880
[(2R)-1-[2-[[6-(2-formylhydrazinyl)pyridine-3-carbonyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 174092333
[1-[2-[(2-chloro-5-iodobenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 45256851
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]furan-3-carboxamide
CID 71942102
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-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
CID 86921275
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid (CID 71655265) is [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid is O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccncc1.
What is the InChIKey of [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is NFLFYUMFQNNIPE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16BN3O4/c17-11(16-7-1-2-10(16)13(19)20)8-15-12(18)9-3-5-14-6-4-9/h3-6,10,19-20H,1-2,7-8H2,(H,15,18)/t10-/m0/s1.
What are the key properties of [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 277.09 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 71655265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).