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CAS 110916-84-2 (R)-2-AMINO-2-METHYL-PENTANOIC ACID molecular structure lightbox
CAS RN: 110916-84-2

(R)-2-AMINO-2-METHYL-PENTANOIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS110916-84-2
  • Purity/Analytical Methods: >99.0%
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110916-84-2 / (2R)-2-amino-2-methylpentanoic acid

2-AMINO-2-METHYLPENTANOIC ACID | RefChem:463530 | 965-198-1

Standard CAS: 110916-84-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110916-84-2
Multi CAS
Yes
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CCC[C@](C)(C(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-3-4-6(2,7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKey
HBJGLYBWNNQMOW-ZCFIWIBFSA-N
Synonyms
2-AMINO-2-METHYLPENTANOIC ACID RefChem:463530 965-198-1 MFCD02662613 2-AMINO-2-METHYLPENTANOICACID

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.14
TPSA
63.32

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
-1.9
Consensus LogP
-0.27
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.1

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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