[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid

C6H13BN2O3 — CID 10607286

IUPAC[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid
SMILESNCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
InChIKeyBZTBBVKEKPNNBE-YFKPBYRVSA-N
MW171.99 g/mol
LogP-2.05
Rot. Bonds2

About [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid

[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid (PubChem CID 10607286) has the molecular formula C6H13BN2O3 and a molecular weight of 171.99 g/mol. Its IUPAC name is [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid
PubChem CID10607286
Molecular FormulaC6H13BN2O3
Molecular Weight171.99 g/mol
Exact Mass172.10
IUPAC Name[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid
SMILESNCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
InChIKeyBZTBBVKEKPNNBE-YFKPBYRVSA-N
XLogP-2.05
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.99
LogP ≤ 5-2.05
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

Ala-boroPro
CID 10149048
((R)-1-(D-alanyl)pyrrolidin-2-yl)boronic acid
CID 44403412
(R)-(1-(2-Acetamidoacetyl)pyrrolidin-2-yl)boronic acid
CID 11579395
Ac-Gly-BoroPro
CID 102176419
[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid
CID 70696903
2-Oxo-2-pyrrolidin-1-ylethanamine
CID 11205761
2-Amino-1-(pyrrolidin-1-yl)ethan-1-one hydrochloride
CID 21949208
Sar-boroPro
CID 59210959
L-Ala-L-boroPro
CID 44422917
[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid
CID 10176424
[1-(N-Acetylglycylglycyl)pyrrolidin-2-yl]boronic acid
CID 15951536
(1-(2-Acetamidoacetyl)pyrrolidin-2-yl)boronic acid
CID 15951835

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid (CID 10607286) is [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid is NCC(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid?
The InChIKey is BZTBBVKEKPNNBE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1.
What are the key properties of [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid?
[(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid has a molecular weight of 171.99 g/mol, XLogP of -2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-aminoacetyl)pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10607286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).