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

C17H19BN2O4 — CID 15951636

IUPAC[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12
InChIInChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1
InChIKeyQVGIJGPVKMNEPA-HNNXBMFYSA-N
MW326.16 g/mol
LogP0.57
Rot. Bonds4

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

[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 15951636) has the molecular formula C17H19BN2O4 and a molecular weight of 326.16 g/mol. Its IUPAC name is [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID15951636
Molecular FormulaC17H19BN2O4
Molecular Weight326.16 g/mol
Exact Mass326.14
IUPAC Name[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12
InChIInChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1
InChIKeyQVGIJGPVKMNEPA-HNNXBMFYSA-N
XLogP0.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid (CID 15951636) is [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid is O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1cccc2ccccc12.
What is the InChIKey of [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is QVGIJGPVKMNEPA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1.
What are the key properties of [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 326.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 15951636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).