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CAS 1207175-98-1 2-(3-(((tert-Butoxycarbonyl)amino)methyl)oxetan-3-yl)acetic acid molecular structure lightbox
CAS RN: 1207175-98-1

2-(3-(((tert-Butoxycarbonyl)amino)methyl)oxetan-3-yl)acetic acid

  • Product code: SSC-021897
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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: 1g
  • 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 1207175-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1207175-98-1 / 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetan-3-yl]acetic acid

2-(3-(((tert-Butoxycarbonyl)amino)methyl)oxetan-3-yl)acetic acid | MFCD14586426 | 2-[3-({[(tert-butoxy)carbonyl]amino}methyl)oxetan-3-yl]acetic acid

Standard CAS: 1207175-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207175-98-1
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)NCC1(COC1)CC(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(4-8(13)14)6-16-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
HVEKIHJCDPRFCO-UHFFFAOYSA-N
Synonyms
2-(3-(((tert-Butoxycarbonyl)amino)methyl)oxetan-3-yl)acetic acid MFCD14586426 2-[3-({[(tert-butoxy)carbonyl]amino}methyl)oxetan-3-yl]acetic acid 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetan-3-yl]acetic acid 2-(3-((TERT-BUTOXYCARBONYLAMINO)METHYL)OXETAN-3-YL)ACETIC ACID

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.74
TPSA
84.86

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
0.2
Consensus LogP
0.7
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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