CAS RN: 1049733-10-9
(R)-2-(Prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR898028
1049733-10-9 / (2R)-2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
(R)-alpha-propynyl-proline-HCl | (R)-2-(Prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride | MFCD06659239
Basic Information
CAS
1049733-10-9
Multi CAS
Yes
Molecular Formula
C8H12ClNO2
Molecular Weight
189.640000
Exact Mass
189.055656
SMILES
C#CC[C@]1(CCCN1)C(=O)O.Cl
InChI
InChI=1S/C8H11NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h1,9H,3-6H2,(H,10,11);1H/t8-;/m0./s1
InChIKey
HUPSJXIFWSWGFS-QRPNPIFTSA-N
Synonyms
(R)-alpha-propynyl-proline-HCl
(R)-2-(Prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride
MFCD06659239
(R)-Alpha-propynyl-proline hydrochloride
(2R)-2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.3
TPSA
49.33
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
0.64
Consensus LogP
0.61
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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