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CAS 1501980-29-5 Trans-5-(Benzyloxyamino)piperidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1501980-29-5

Trans-5-(Benzyloxyamino)piperidine-2-carboxylic acid

  • Product code: SSC-060160
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1501980-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1501980-29-5 / (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid

Standard CAS: 1501980-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1501980-29-5
Multi CAS
No
Molecular Formula
C13H18N2O3
Molecular Weight
250.290000
Exact Mass
250.131742
SMILES
C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H18N2O3/c16-13(17)12-7-6-11(8-14-12)15-18-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)/t11-,12+/m1/s1
InChIKey
CDZNTXLXEGFPLP-NEPJUHHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
66.82
TPSA
70.59

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
-1.2
Consensus LogP
0.17
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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