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

C10H19BN2O3 — CID 142450590

IUPAC[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC1(C(N)C(=O)N2CCCC2B(O)O)CC1
InChIInChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3
InChIKeyVEWKBTTWHTZHER-UHFFFAOYSA-N
MW226.09 g/mol
LogP-0.88
Rot. Bonds3

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

[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 142450590) has the molecular formula C10H19BN2O3 and a molecular weight of 226.09 g/mol. Its IUPAC name is [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID142450590
Molecular FormulaC10H19BN2O3
Molecular Weight226.09 g/mol
Exact Mass226.15
IUPAC Name[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC1(C(N)C(=O)N2CCCC2B(O)O)CC1
InChIInChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3
InChIKeyVEWKBTTWHTZHER-UHFFFAOYSA-N
XLogP-0.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid (CID 142450590) is [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid is CC1(C(N)C(=O)N2CCCC2B(O)O)CC1.
What is the InChIKey of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is VEWKBTTWHTZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3.
What are the key properties of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 226.09 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 142450590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).