4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid

C8H16BNO3 — CID 158746834

IUPAC4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESCB(O)CCC1CNC(C(=O)O)C1
InChIInChI=1S/C8H16BNO3/c1-9(13)3-2-6-4-7(8(11)12)10-5-6/h6-7,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyMUOWKFQHWAJKIH-UHFFFAOYSA-N
MW185.03 g/mol
LogP0.05
Rot. Bonds4

About 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid

4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 158746834) has the molecular formula C8H16BNO3 and a molecular weight of 185.03 g/mol. Its IUPAC name is 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID158746834
Molecular FormulaC8H16BNO3
Molecular Weight185.03 g/mol
Exact Mass185.12
IUPAC Name4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESCB(O)CCC1CNC(C(=O)O)C1
InChIInChI=1S/C8H16BNO3/c1-9(13)3-2-6-4-7(8(11)12)10-5-6/h6-7,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyMUOWKFQHWAJKIH-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.03
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
CID 69349870
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 118274051
(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
CID 11643959
(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 88710869
(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
5-(hydroxymethyl)piperidine-2-carboxylic acid
CID 18320034

Frequently Asked Questions

What is the IUPAC name of 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid (CID 158746834) is 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid is CB(O)CCC1CNC(C(=O)O)C1.
What is the InChIKey of 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MUOWKFQHWAJKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BNO3/c1-9(13)3-2-6-4-7(8(11)12)10-5-6/h6-7,10,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid?
4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 185.03 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158746834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).