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CAS 2920178-37-4 methyl (2R)-2-(cyclopentylamino)butanoate;hydrochloride molecular structure lightbox
CAS RN: 2920178-37-4

methyl (2R)-2-(cyclopentylamino)butanoate;hydrochloride

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Batchno.20260603 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
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2920178-37-4 / methyl (2R)-2-(cyclopentylamino)butanoate;hydrochloride

methyl (2R)-2-(cyclopentylamino)butanoate;hydrochloride | MFCD34626150 | METHYL (2R)-2-(CYCLOPENTYLAMINO)BUTANOATE HYDROCHLORIDE

Standard CAS: 2920178-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2920178-37-4
Multi CAS
Yes
Molecular Formula
C10H20CLNO2
Molecular Weight
221.720000
Exact Mass
221.118257
SMILES
CCC(C(=O)OC)NC1CCCC1.Cl
InChI
InChI=1S/C10H19NO2.ClH/c1-3-9(10(12)13-2)11-8-6-4-5-7-8;/h8-9,11H,3-7H2,1-2H3;1H/t9-;/m1./s1
InChIKey
MKOOJLDSLGAFHS-SBSPUUFOSA-N
Synonyms
methyl (2R)-2-(cyclopentylamino)butanoate;hydrochloride MFCD34626150 METHYL (2R)-2-(CYCLOPENTYLAMINO)BUTANOATE HYDROCHLORIDE PS-16111 F85944

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.73
TPSA
38.33

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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