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CAS 114396-63-3 L-Serine, 2-Methyl-, Methyl ester, hydrochloride molecular structure lightbox
CAS RN: 114396-63-3

L-Serine, 2-Methyl-, Methyl ester, hydrochloride

  • Product code: SSC-014199
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114396-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry

114396-63-3 / methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;hydrochloride

Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride | RefChem:813974 | 840-416-7

Standard CAS: 114396-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114396-63-3
Multi CAS
Yes
Molecular Formula
C5H12ClNO3
Molecular Weight
169.610000
Exact Mass
169.050571
SMILES
C[C@](CO)(C(=O)OC)N.Cl
InChI
InChI=1S/C5H11NO3.ClH/c1-5(6,3-7)4(8)9-2;/h7H,3,6H2,1-2H3;1H/t5-;/m0./s1
InChIKey
OBOVZRPIWXDGEL-JEDNCBNOSA-N
Synonyms
Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride RefChem:813974 840-416-7 MFCD28400767 Methyl 2-amino-3-hydroxy-2-methyl-propanoate hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.94
TPSA
72.55

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.26

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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