4-(2-boronoethyl)pyrrolidine-2-carboxylic acid

C7H14BNO4 — CID 155793233

IUPAC4-(2-boronoethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCB(O)O)CN1
InChIInChI=1S/C7H14BNO4/c10-7(11)6-3-5(4-9-6)1-2-8(12)13/h5-6,9,12-13H,1-4H2,(H,10,11)
InChIKeyHKQIZEYTMQTGJX-UHFFFAOYSA-N
MW187.00 g/mol
LogP-1.09
Rot. Bonds4

About 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid

4-(2-boronoethyl)pyrrolidine-2-carboxylic acid (PubChem CID 155793233) has the molecular formula C7H14BNO4 and a molecular weight of 187.00 g/mol. Its IUPAC name is 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-boronoethyl)pyrrolidine-2-carboxylic acid
PubChem CID155793233
Molecular FormulaC7H14BNO4
Molecular Weight187.00 g/mol
Exact Mass187.10
IUPAC Name4-(2-boronoethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCB(O)O)CN1
InChIInChI=1S/C7H14BNO4/c10-7(11)6-3-5(4-9-6)1-2-8(12)13/h5-6,9,12-13H,1-4H2,(H,10,11)
InChIKeyHKQIZEYTMQTGJX-UHFFFAOYSA-N
XLogP-1.09
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 11366996
(2S,3R)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 146970397
4-Methylproline
CID 352051
2,5-Pyrrolidinedicarboxylic acid
CID 428912
(2S,3S,4R)-3-(3-boronopropyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 148175638
(2S,3S,4R)-3-(3-boronopropyl)-4-(dimethylamino)pyrrolidine-2-carboxylic acid
CID 150886950
(2S,3R,4R)-4-amino-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 151892128
(2S,3R)-3-(3-boronopropyl)azetidine-2-carboxylic acid
CID 151925793
(2S,3R,5R)-3-(3-boronopropyl)-5-methylpyrrolidine-2-carboxylic acid
CID 155793084
(2S,3R)-3-(3-boronopropyl)-3-methylpyrrolidine-2-carboxylic acid
CID 155793126
(2S,3R)-3-(aminomethyl)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 155793141
(2S,3R,5S)-3-(3-boronopropyl)-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 155793229

Frequently Asked Questions

What is the IUPAC name of 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid (CID 155793233) is 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(CCB(O)O)CN1.
What is the InChIKey of 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HKQIZEYTMQTGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO4/c10-7(11)6-3-5(4-9-6)1-2-8(12)13/h5-6,9,12-13H,1-4H2,(H,10,11).
What are the key properties of 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid?
4-(2-boronoethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.00 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-boronoethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155793233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).