[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid

C14H21BN2O3 — CID 59210958

IUPAC[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@@H](NCC(=O)N1CCC[C@H]1B(O)O)c1ccccc1
InChIInChI=1S/C14H21BN2O3/c1-11(12-6-3-2-4-7-12)16-10-14(18)17-9-5-8-13(17)15(19)20/h2-4,6-7,11,13,16,19-20H,5,8-10H2,1H3/t11-,13+/m1/s1
InChIKeySUWZUOSHAVPKLF-YPMHNXCESA-N
MW276.14 g/mol
LogP0.34
Rot. Bonds5

About [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 59210958) has the molecular formula C14H21BN2O3 and a molecular weight of 276.14 g/mol. Its IUPAC name is [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID59210958
Molecular FormulaC14H21BN2O3
Molecular Weight276.14 g/mol
Exact Mass276.16
IUPAC Name[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@@H](NCC(=O)N1CCC[C@H]1B(O)O)c1ccccc1
InChIInChI=1S/C14H21BN2O3/c1-11(12-6-3-2-4-7-12)16-10-14(18)17-9-5-8-13(17)15(19)20/h2-4,6-7,11,13,16,19-20H,5,8-10H2,1H3/t11-,13+/m1/s1
InChIKeySUWZUOSHAVPKLF-YPMHNXCESA-N
XLogP0.34
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
[(2R)-1-[2-[[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 11211207
[(2R)-1-[2-(pyridine-4-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 71655265
[(2R)-1-[2-[[(3R)-3-benzylpyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 11998064
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid (CID 59210958) is [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid is C[C@@H](NCC(=O)N1CCC[C@H]1B(O)O)c1ccccc1.
What is the InChIKey of [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is SUWZUOSHAVPKLF-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21BN2O3/c1-11(12-6-3-2-4-7-12)16-10-14(18)17-9-5-8-13(17)15(19)20/h2-4,6-7,11,13,16,19-20H,5,8-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 276.14 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 59210958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).