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CAS 101968-85-8 N-tert-Butylcarbamoyl-L-tert-leucine molecular structure lightbox
CAS RN: 101968-85-8

N-tert-Butylcarbamoyl-L-tert-leucine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 100g In stock Inquiry
Batchno.20251021 1g In stock Inquiry
Batchno.20260126 25g In stock Inquiry
Batchno.20251219 5g In stock Inquiry
Batchno.20260127 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003122
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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: 25g
  • Available purity: ＞97%
  • 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 101968-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

101968-85-8 / (2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid

L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl- | N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine | Boceprevir metabolite m0ba

Standard CAS: 101968-85-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101968-85-8
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)NC(C)(C)C
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChIKey
RAAPXVRHYBAJQU-SSDOTTSWSA-N
Synonyms
L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl- N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine Boceprevir metabolite m0ba 59BAS59XBD SCH 503034-k

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
62.3
TPSA
78.43

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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