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CAS 214139-20-5 DL-3-AMINOISOBUTYRIC ACID MONOHYDRATE molecular structure lightbox
CAS RN: 214139-20-5

DL-3-AMINOISOBUTYRIC ACID MONOHYDRATE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 1g In stock Shanghai, Shandong Inquiry
Batchno.20251001 5g In stock Shandong Inquiry
  • Product code: SSC-102653
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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 214139-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

214139-20-5 / 3-amino-2-methylpropanoic acid;hydrate

Standard CAS: 214139-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214139-20-5
Multi CAS
No
Molecular Formula
C4H11NO3
Molecular Weight
121.140000
Exact Mass
121.073893
SMILES
CC(CN)C(=O)O.O
InChI
InChI=1S/C4H9NO2.H2O/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H2
InChIKey
DJNUQSALULMICR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.47
TPSA
94.82

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.03
XLogP3
-1.16
Consensus LogP
-1.12
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.28

Drug-likeness / Medicinal Chemistry

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

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