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CAS 10521-49-0 Glycyl-D-valine molecular structure lightbox
CAS RN: 10521-49-0

Glycyl-D-valine

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: ICTG0146
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10521-49-0 / (2R)-2-[(2-aminoacetyl)amino]-3-methylbutanoic acid

Glycylvaline | RefChem:663945 | 217-806-5

Standard CAS: 10521-49-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10521-49-0
Multi CAS
Yes
Molecular Formula
C7H14N2O3
Molecular Weight
174.200000
Exact Mass
174.100442
SMILES
CC(C)[C@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKey
STKYPAFSDFAEPH-ZCFIWIBFSA-N
Synonyms
Glycylvaline RefChem:663945 217-806-5 2-(2-Aminoacetamido)-3-methylbutanoic acid Gly-val

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.46
TPSA
92.42

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.73
XLogP3
-2.7
Consensus LogP
-1.42
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-4.37

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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