CAS RN: 1131595-03-3
1-((BENZYLOXY)CARBONYL)-3-AMINOPIPERIDINE-3-CARBOXYLIC ACID
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260120 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1131595-03-3
- Purity/Analytical Methods: >99.0%
1131595-03-3 / 3-amino-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
3-amino-1-((benzyloxy)carbonyl)piperidine-3-carboxylic acid | 1-((BENZYLOXY)CARBONYL)-3-AMINOPIPERIDINE-3-CARBOXYLIC ACID | 1-CBZ-3-AMINO-PIPERIDINE-3-CARBOXYLIC ACID
Basic Information
CAS
1131595-03-3
Multi CAS
No
Molecular Formula
C14H18N2O4
Molecular Weight
278.300000
Exact Mass
278.126657
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)(C(=O)O)N
InChI
InChI=1S/C14H18N2O4/c15-14(12(17)18)7-4-8-16(10-14)13(19)20-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2,(H,17,18)
InChIKey
GLKIELGAKRNCPQ-UHFFFAOYSA-N
Synonyms
3-amino-1-((benzyloxy)carbonyl)piperidine-3-carboxylic acid
1-((BENZYLOXY)CARBONYL)-3-AMINOPIPERIDINE-3-CARBOXYLIC ACID
1-CBZ-3-AMINO-PIPERIDINE-3-CARBOXYLIC ACID
MFCD11110741
3-Amino-1-[(benzyloxy)carbonyl]-3-piperidinecarboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.99
TPSA
92.86
LogP / Solubility
WLOGP
1.2
MLOGP
1.07
XLogP3
-1.7
Consensus LogP
0.19
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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