[email protected]
CAS 1217700-75-8 (R)-3-aMino-2-(hydroxyMethyl)propanoic acid molecular structure lightbox
CAS RN: 1217700-75-8

(R)-3-aMino-2-(hydroxyMethyl)propanoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1217700-75-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217700-75-8 / (2R)-2-(aminomethyl)-3-hydroxypropanoic acid

Standard CAS: 1217700-75-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1217700-75-8
Multi CAS
No
Molecular Formula
C4H9NO3
Molecular Weight
119.120000
Exact Mass
119.058243
SMILES
C([C@H](CO)C(=O)O)N
InChI
InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
InChIKey
UHLNJPIGFDWGTP-GSVOUGTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
27.27
TPSA
83.55

LogP / Solubility

WLOGP
-1.36
MLOGP
-1.21
XLogP3
-4.1
Consensus LogP
-2.22
Log S (ESOL)
0.48
Class (ESOL)
Highly soluble
Log S (Ali)
0.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
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)
-4.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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.

Customers Also Viewed

Get In Touch

Contact Us