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CAS 1068-84-4 Aminomalonic acid molecular structure lightbox
CAS RN: 1068-84-4

Aminomalonic acid

Product Availability

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 10g In stock Inquiry
Batchno.20250724 1g In stock Inquiry
Batchno.20250420 250mg In stock Inquiry
Batchno.20250813 50mg In stock Inquiry
Batchno.20250928 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100mg In stock Shanghai Inquiry
Batchno.20250917 1g In stock Shanghai Inquiry
Batchno.20250415 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250711 5g In stock Shanghai Inquiry
  • Product code: SSC-008316
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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: ＞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 1068-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1068-84-4 / 2-aminopropanedioic acid

Aminomalonic acid | 2-Aminopropanedioic Acid | 2-Aminomalonic acid

Standard CAS: 1068-84-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1068-84-4
Multi CAS
No
Molecular Formula
C3H5NO4
Molecular Weight
119.080000
Exact Mass
119.021858
SMILES
C(C(=O)O)(C(=O)O)N
InChI
InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
InChIKey
JINBYESILADKFW-UHFFFAOYSA-N
Synonyms
Aminomalonic acid 2-Aminopropanedioic Acid 2-Aminomalonic acid DTXSID50147777 2-azaniumyl-3-hydroxy-3-oxopropanoate

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
23.25
TPSA
100.62

LogP / Solubility

WLOGP
-1.52
MLOGP
-1.34
XLogP3
-3.6
Consensus LogP
-2.15
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
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)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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