[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid

C10H20BN3O3 — CID 11253490

IUPAC[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1
InChIKeyDVJAMEIQRSHVKC-BDAKNGLRSA-N
MW241.10 g/mol
LogP-2.06
Rot. Bonds4

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

[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 11253490) has the molecular formula C10H20BN3O3 and a molecular weight of 241.10 g/mol. Its IUPAC name is [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID11253490
Molecular FormulaC10H20BN3O3
Molecular Weight241.10 g/mol
Exact Mass241.16
IUPAC Name[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
SMILESO=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1
InChIKeyDVJAMEIQRSHVKC-BDAKNGLRSA-N
XLogP-2.06
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide
CID 10198228
(S)-2,4-Diamino-1-(2-boron-dihydroxide-pyrrolidin-1-yl)-butan-1-one
CID 44403361
2-Cyclopropylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone
CID 44403391
2-Cyclobutylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone
CID 44403392
2-Cyclopentylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone
CID 44403393
(R)-1-((R)-2-acetamidopropanoyl)pyrrolidin-2-ylboronic acid
CID 44418250
1-(2-Pyrrolidinylcarbonyl)-2-pyrrolidinylboronic acid
CID 3035635
trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide
CID 6102714
[(2R)-1-[(2S,4S)-4-aminopyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
CID 11160495
[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11171627
[(2R)-1-[2-(azetidin-3-ylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 11241629
[(2R)-1-[2-[[(3S)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 11322428

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid (CID 11253490) is [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid is O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is DVJAMEIQRSHVKC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1.
What are the key properties of [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 241.10 g/mol, XLogP of -2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[[(3R)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 11253490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).