General Information of the Compound
Compound ID
CP0134868
Compound Name
(2S)-2-amino-4-methylpentanoic acid
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Synonyms
(2S)-2-amino-4-methylpentanoic acid
(2S)-alpha-leucine
(S)-(+)-Leucine
(S)-2-Amino-4-methylpentanoic acid
(S)-2-Amino-4-methylvaleric acid
(S)-Leucine
2-amino-4-methylvaleric acid
61-90-5
H-Leu-OH
L-(-)-2-Amino-4-methylpentanoic acid
L-Leuzin
L-Norvaline, 4-methyl-
L-alpha-Aminoisocaproic acid
L-leucin
L-leucine
LEUCINE, L-
Leucin
Leucin [German]
Leucina [INN-Spanish]
Leucina [Latin,Spanish]
Leucine (VAN)
Leucine [USAN:INN]
Leucinum
Leucinum [INN-Latin]
alpha-Aminoisocaproic acid
leu
leucine
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Structure
Formula
C6H13NO2
Molecular Weight
131.175
Canonical SMILES
CC(C)C[C@H](N)C(O)=O
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InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
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InChIKey
ROHFNLRQFUQHCH-YFKPBYRVSA-N
CAS
71000-80-1
21675-61-6
25248-98-0
70-45-1
Physicochemical Property
logP
0.4444
Rotatable Bonds
3
Heavy Atom Count
9
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
9

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6106
SID: 15218991
ChEMBL ID
CHEMBL291962
DrugBank ID
DB00149
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05556, Large neutral amino acids transporter small subunit 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 85000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( L-leucine )
Drug Name L-leucine