[email protected]
CAS 118552-55-9 N-BOC-DL-PIPECOLINIC ACID molecular structure lightbox
CAS RN: 118552-55-9

N-BOC-DL-PIPECOLINIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS118552-55-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

118552-55-9 / 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid | 1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid | RefChem:419119

Standard CAS: 118552-55-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118552-55-9
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
JQAOHGMPAAWWQO-UHFFFAOYSA-N
Synonyms
1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid 1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid RefChem:419119 628-632-8 N-Boc-2-piperidinecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.21
TPSA
66.84

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us