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

C6H13BN2O3 — CID 68570919

IUPAC[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid
SMILESNCC(=O)C1CCCN1B(O)O
InChIInChI=1S/C6H13BN2O3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5,11-12H,1-4,8H2
InChIKeyAMLFVKYPQGEEKL-UHFFFAOYSA-N
MW171.99 g/mol
LogP-2.05
Rot. Bonds3

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

[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid (PubChem CID 68570919) has the molecular formula C6H13BN2O3 and a molecular weight of 171.99 g/mol. Its IUPAC name is [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid.

Molecular Properties

Compound Name[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid
PubChem CID68570919
Molecular FormulaC6H13BN2O3
Molecular Weight171.99 g/mol
Exact Mass172.10
IUPAC Name[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid
SMILESNCC(=O)C1CCCN1B(O)O
InChIInChI=1S/C6H13BN2O3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5,11-12H,1-4,8H2
InChIKeyAMLFVKYPQGEEKL-UHFFFAOYSA-N
XLogP-2.05
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
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 ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143879707
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid?
The IUPAC name of [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid (CID 68570919) is [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid.
What is the SMILES notation for [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid?
The canonical SMILES for [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid is NCC(=O)C1CCCN1B(O)O.
What is the InChIKey of [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid?
The InChIKey is AMLFVKYPQGEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BN2O3/c8-4-6(10)5-2-1-3-9(5)7(11)12/h5,11-12H,1-4,8H2.
What are the key properties of [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid?
[2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid has a molecular weight of 171.99 g/mol, XLogP of -2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoacetyl)pyrrolidin-1-yl]boronic acid is sourced from PubChem (CID 68570919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).